USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 924 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 118 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 119 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 95 GLN :FLIP amide:sc= -0.0151 F(o=1.2!,f=2.5) USER MOD Set 2.2: A 97 ASN : amide:sc= 1.3 K(o=2.5,f=-1.1) USER MOD Set 2.3: A 108 THR OG1 : rot -121:sc= 1.21 USER MOD Set 2.4: A 110 GLN : amide:sc= 0 X(o=2.5,f=2.4) USER MOD Set 3.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 56 GLN : amide:sc= 0.413 K(o=0.36,f=-0.79) USER MOD Set 3.3: A 59 GLN : amide:sc= -0.0547 X(o=0.36,f=0.26) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.15 (180deg=0.842) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -112:sc= -0.592 (180deg=-2.01) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.225 X(o=0.23,f=0) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 13 ASN : amide:sc=-0.00388 X(o=-0.0039,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.2) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 26 ASN : amide:sc= -0.109 K(o=-0.11,f=-2.2!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0.416 K(o=0.42,f=-6.7!) USER MOD Single : A 32 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -11:sc= 1.23 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.141 F(o=-1.4!,f=-0.14) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 60 SER OG : rot 75:sc= 0.268 USER MOD Single : A 61 GLN :FLIP amide:sc= -1.32 F(o=-2.5!,f=-1.3) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.059 X(o=-0.059,f=-0.0073) USER MOD Single : A 71 ASN : amide:sc= 0.574 K(o=0.57,f=-1.2) USER MOD Single : A 72 THR OG1 : rot 3:sc= 1.01 USER MOD Single : A 74 LYS NZ :NH3+ -174:sc= -0.0065 (180deg=-0.0555) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -170:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0974 K(o=-0.097,f=-2.3!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.894 F(o=-2.8!,f=-0.89) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -70:sc= 1.21 USER MOD Single : A 105 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.85) USER MOD Single : A 106 THR OG1 : rot 49:sc= 0.221 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 ASN : amide:sc= -0.976 X(o=-0.98,f=-1.4) USER MOD Single : A 117 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 123 HIS : no HD1:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 124 HIS :FLIP no HD1:sc= -1.79! C(o=-2.5!,f=-1.8!) USER MOD Single : A 125 HIS : no HD1:sc= 0.194 K(o=0.19,f=-3.1!) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 94.529 -2.191 9.295 1.00 0.00 N ATOM 2 CA MET A 1 93.434 -1.332 9.796 1.00 52.33 C ATOM 3 C MET A 1 93.307 -0.079 8.943 1.00 71.33 C ATOM 4 O MET A 1 94.267 0.678 8.793 1.00 1.24 O ATOM 5 CB MET A 1 93.679 -0.944 11.257 1.00 2.44 C ATOM 6 CG MET A 1 93.528 -2.098 12.238 1.00 75.50 C ATOM 7 SD MET A 1 94.697 -3.442 11.943 1.00 21.34 S ATOM 8 CE MET A 1 94.242 -4.578 13.255 1.00 13.04 C ATOM 0 H1 MET A 1 94.864 -2.809 10.062 1.00 0.00 H new ATOM 0 H2 MET A 1 94.180 -2.774 8.508 1.00 0.00 H new ATOM 0 H3 MET A 1 95.314 -1.595 8.963 1.00 0.00 H new ATOM 0 HA MET A 1 92.504 -1.897 9.734 1.00 52.33 H new ATOM 0 HB2 MET A 1 94.684 -0.532 11.349 1.00 2.44 H new ATOM 0 HB3 MET A 1 92.983 -0.152 11.534 1.00 2.44 H new ATOM 0 HG2 MET A 1 93.664 -1.724 13.253 1.00 75.50 H new ATOM 0 HG3 MET A 1 92.512 -2.489 12.176 1.00 75.50 H new ATOM 0 HE1 MET A 1 94.877 -5.463 13.207 1.00 13.04 H new ATOM 0 HE2 MET A 1 94.373 -4.090 14.221 1.00 13.04 H new ATOM 0 HE3 MET A 1 93.199 -4.873 13.136 1.00 13.04 H new ATOM 20 N ALA A 2 92.128 0.133 8.380 1.00 12.30 N ATOM 21 CA ALA A 2 91.867 1.309 7.567 1.00 21.34 C ATOM 22 C ALA A 2 90.475 1.857 7.852 1.00 14.20 C ATOM 23 O ALA A 2 89.472 1.174 7.637 1.00 72.13 O ATOM 24 CB ALA A 2 92.020 0.983 6.090 1.00 74.23 C ATOM 0 H ALA A 2 91.332 -0.499 8.472 1.00 12.30 H new ATOM 0 HA ALA A 2 92.598 2.075 7.827 1.00 21.34 H new ATOM 0 HB1 ALA A 2 91.821 1.876 5.498 1.00 74.23 H new ATOM 0 HB2 ALA A 2 93.036 0.639 5.897 1.00 74.23 H new ATOM 0 HB3 ALA A 2 91.313 0.200 5.815 1.00 74.23 H new ATOM 30 N GLY A 3 90.429 3.083 8.343 1.00 50.23 N ATOM 31 CA GLY A 3 89.166 3.718 8.661 1.00 65.14 C ATOM 32 C GLY A 3 89.379 5.012 9.411 1.00 23.21 C ATOM 33 O GLY A 3 88.642 5.339 10.340 1.00 32.24 O ATOM 0 H GLY A 3 91.252 3.657 8.529 1.00 50.23 H new ATOM 0 HA2 GLY A 3 88.613 3.914 7.742 1.00 65.14 H new ATOM 0 HA3 GLY A 3 88.557 3.042 9.262 1.00 65.14 H new ATOM 37 N THR A 4 90.390 5.757 8.996 1.00 43.32 N ATOM 38 CA THR A 4 90.774 6.975 9.678 1.00 31.21 C ATOM 39 C THR A 4 89.936 8.157 9.192 1.00 2.41 C ATOM 40 O THR A 4 90.293 8.839 8.227 1.00 63.23 O ATOM 41 CB THR A 4 92.273 7.270 9.461 1.00 4.31 C ATOM 42 OG1 THR A 4 93.048 6.101 9.778 1.00 72.25 O ATOM 43 CG2 THR A 4 92.732 8.438 10.320 1.00 71.44 C ATOM 0 H THR A 4 90.963 5.534 8.182 1.00 43.32 H new ATOM 0 HA THR A 4 90.593 6.834 10.744 1.00 31.21 H new ATOM 0 HB THR A 4 92.421 7.537 8.415 1.00 4.31 H new ATOM 0 HG1 THR A 4 93.999 6.291 9.638 1.00 72.25 H new ATOM 0 HG21 THR A 4 93.792 8.623 10.146 1.00 71.44 H new ATOM 0 HG22 THR A 4 92.161 9.329 10.058 1.00 71.44 H new ATOM 0 HG23 THR A 4 92.573 8.201 11.372 1.00 71.44 H new ATOM 51 N MET A 5 88.801 8.372 9.843 1.00 11.31 N ATOM 52 CA MET A 5 87.943 9.497 9.513 1.00 75.43 C ATOM 53 C MET A 5 88.235 10.664 10.443 1.00 15.13 C ATOM 54 O MET A 5 87.610 10.811 11.493 1.00 24.32 O ATOM 55 CB MET A 5 86.465 9.115 9.599 1.00 22.24 C ATOM 56 CG MET A 5 86.032 8.127 8.531 1.00 23.44 C ATOM 57 SD MET A 5 84.261 7.781 8.579 1.00 11.43 S ATOM 58 CE MET A 5 83.584 9.409 8.239 1.00 45.42 C ATOM 0 H MET A 5 88.455 7.783 10.600 1.00 11.31 H new ATOM 0 HA MET A 5 88.154 9.792 8.485 1.00 75.43 H new ATOM 0 HB2 MET A 5 86.265 8.687 10.581 1.00 22.24 H new ATOM 0 HB3 MET A 5 85.859 10.017 9.515 1.00 22.24 H new ATOM 0 HG2 MET A 5 86.295 8.521 7.549 1.00 23.44 H new ATOM 0 HG3 MET A 5 86.584 7.196 8.658 1.00 23.44 H new ATOM 0 HE1 MET A 5 83.079 9.786 9.128 1.00 45.42 H new ATOM 0 HE2 MET A 5 84.391 10.089 7.965 1.00 45.42 H new ATOM 0 HE3 MET A 5 82.871 9.342 7.417 1.00 45.42 H new ATOM 68 N THR A 6 89.217 11.464 10.065 1.00 41.42 N ATOM 69 CA THR A 6 89.615 12.610 10.860 1.00 43.12 C ATOM 70 C THR A 6 88.541 13.694 10.815 1.00 64.43 C ATOM 71 O THR A 6 88.059 14.148 11.855 1.00 60.42 O ATOM 72 CB THR A 6 90.951 13.176 10.352 1.00 74.21 C ATOM 73 OG1 THR A 6 91.859 12.097 10.102 1.00 54.11 O ATOM 74 CG2 THR A 6 91.567 14.136 11.360 1.00 62.12 C ATOM 0 H THR A 6 89.755 11.339 9.208 1.00 41.42 H new ATOM 0 HA THR A 6 89.739 12.282 11.892 1.00 43.12 H new ATOM 0 HB THR A 6 90.760 13.728 9.432 1.00 74.21 H new ATOM 0 HG1 THR A 6 92.711 12.455 9.776 1.00 54.11 H new ATOM 0 HG21 THR A 6 92.510 14.518 10.969 1.00 62.12 H new ATOM 0 HG22 THR A 6 90.884 14.967 11.535 1.00 62.12 H new ATOM 0 HG23 THR A 6 91.748 13.611 12.298 1.00 62.12 H new ATOM 82 N PHE A 7 88.152 14.094 9.611 1.00 42.33 N ATOM 83 CA PHE A 7 87.112 15.096 9.448 1.00 74.33 C ATOM 84 C PHE A 7 85.734 14.441 9.515 1.00 63.13 C ATOM 85 O PHE A 7 85.400 13.576 8.705 1.00 64.35 O ATOM 86 CB PHE A 7 87.295 15.872 8.129 1.00 24.13 C ATOM 87 CG PHE A 7 87.108 15.058 6.876 1.00 71.12 C ATOM 88 CD1 PHE A 7 85.978 15.230 6.092 1.00 75.04 C ATOM 89 CD2 PHE A 7 88.055 14.128 6.483 1.00 54.44 C ATOM 90 CE1 PHE A 7 85.798 14.489 4.940 1.00 24.44 C ATOM 91 CE2 PHE A 7 87.881 13.385 5.332 1.00 13.11 C ATOM 92 CZ PHE A 7 86.751 13.564 4.561 1.00 63.23 C ATOM 0 H PHE A 7 88.541 13.740 8.737 1.00 42.33 H new ATOM 0 HA PHE A 7 87.191 15.814 10.265 1.00 74.33 H new ATOM 0 HB2 PHE A 7 86.588 16.702 8.113 1.00 24.13 H new ATOM 0 HB3 PHE A 7 88.295 16.305 8.116 1.00 24.13 H new ATOM 0 HD1 PHE A 7 85.230 15.952 6.385 1.00 75.04 H new ATOM 0 HD2 PHE A 7 88.941 13.982 7.084 1.00 54.44 H new ATOM 0 HE1 PHE A 7 84.914 14.633 4.337 1.00 24.44 H new ATOM 0 HE2 PHE A 7 88.629 12.664 5.036 1.00 13.11 H new ATOM 0 HZ PHE A 7 86.612 12.982 3.662 1.00 63.23 H new ATOM 102 N GLN A 8 84.951 14.830 10.509 1.00 31.11 N ATOM 103 CA GLN A 8 83.602 14.304 10.669 1.00 22.32 C ATOM 104 C GLN A 8 82.638 15.416 11.063 1.00 73.41 C ATOM 105 O GLN A 8 81.785 15.246 11.934 1.00 70.13 O ATOM 106 CB GLN A 8 83.580 13.168 11.698 1.00 44.31 C ATOM 107 CG GLN A 8 84.109 11.852 11.150 1.00 2.34 C ATOM 108 CD GLN A 8 84.021 10.715 12.146 1.00 35.43 C ATOM 109 OE1 GLN A 8 83.003 10.034 12.235 1.00 50.31 O ATOM 110 NE2 GLN A 8 85.095 10.483 12.879 1.00 14.45 N ATOM 0 H GLN A 8 85.226 15.509 11.219 1.00 31.11 H new ATOM 0 HA GLN A 8 83.277 13.896 9.712 1.00 22.32 H new ATOM 0 HB2 GLN A 8 84.175 13.459 12.563 1.00 44.31 H new ATOM 0 HB3 GLN A 8 82.558 13.024 12.048 1.00 44.31 H new ATOM 0 HG2 GLN A 8 83.548 11.587 10.254 1.00 2.34 H new ATOM 0 HG3 GLN A 8 85.148 11.983 10.848 1.00 2.34 H new ATOM 0 HE21 GLN A 8 85.921 11.072 12.775 1.00 14.45 H new ATOM 0 HE22 GLN A 8 85.099 9.714 13.549 1.00 14.45 H new ATOM 119 N PHE A 9 82.785 16.558 10.406 1.00 73.24 N ATOM 120 CA PHE A 9 81.890 17.686 10.612 1.00 4.13 C ATOM 121 C PHE A 9 80.740 17.613 9.614 1.00 32.53 C ATOM 122 O PHE A 9 80.912 17.917 8.432 1.00 20.24 O ATOM 123 CB PHE A 9 82.644 19.011 10.458 1.00 55.13 C ATOM 124 CG PHE A 9 83.724 19.216 11.485 1.00 3.12 C ATOM 125 CD1 PHE A 9 84.990 18.681 11.302 1.00 54.02 C ATOM 126 CD2 PHE A 9 83.471 19.946 12.635 1.00 53.11 C ATOM 127 CE1 PHE A 9 85.982 18.871 12.246 1.00 4.52 C ATOM 128 CE2 PHE A 9 84.459 20.139 13.582 1.00 31.40 C ATOM 129 CZ PHE A 9 85.715 19.600 13.388 1.00 63.11 C ATOM 0 H PHE A 9 83.522 16.727 9.721 1.00 73.24 H new ATOM 0 HA PHE A 9 81.491 17.639 11.625 1.00 4.13 H new ATOM 0 HB2 PHE A 9 83.088 19.052 9.463 1.00 55.13 H new ATOM 0 HB3 PHE A 9 81.932 19.834 10.524 1.00 55.13 H new ATOM 0 HD1 PHE A 9 85.204 18.109 10.411 1.00 54.02 H new ATOM 0 HD2 PHE A 9 82.490 20.369 12.793 1.00 53.11 H new ATOM 0 HE1 PHE A 9 86.964 18.450 12.091 1.00 4.52 H new ATOM 0 HE2 PHE A 9 84.249 20.711 14.473 1.00 31.40 H new ATOM 0 HZ PHE A 9 86.487 19.748 14.128 1.00 63.11 H new ATOM 139 N ARG A 10 79.580 17.182 10.087 1.00 62.51 N ATOM 140 CA ARG A 10 78.430 16.979 9.220 1.00 44.32 C ATOM 141 C ARG A 10 77.166 17.518 9.886 1.00 21.34 C ATOM 142 O ARG A 10 76.969 17.324 11.085 1.00 35.21 O ATOM 143 CB ARG A 10 78.274 15.481 8.923 1.00 21.20 C ATOM 144 CG ARG A 10 77.980 15.148 7.466 1.00 72.03 C ATOM 145 CD ARG A 10 76.653 15.722 7.000 1.00 53.43 C ATOM 146 NE ARG A 10 76.273 15.223 5.678 1.00 61.25 N ATOM 147 CZ ARG A 10 76.049 16.005 4.620 1.00 52.03 C ATOM 148 NH1 ARG A 10 76.261 17.313 4.698 1.00 11.40 N1+ ATOM 149 NH2 ARG A 10 75.629 15.475 3.477 1.00 60.33 N ATOM 0 H ARG A 10 79.411 16.966 11.069 1.00 62.51 H new ATOM 0 HA ARG A 10 78.585 17.518 8.285 1.00 44.32 H new ATOM 0 HB2 ARG A 10 79.188 14.968 9.221 1.00 21.20 H new ATOM 0 HB3 ARG A 10 77.469 15.084 9.542 1.00 21.20 H new ATOM 0 HG2 ARG A 10 78.782 15.536 6.838 1.00 72.03 H new ATOM 0 HG3 ARG A 10 77.970 14.066 7.338 1.00 72.03 H new ATOM 0 HD2 ARG A 10 75.875 15.468 7.720 1.00 53.43 H new ATOM 0 HD3 ARG A 10 76.719 16.810 6.972 1.00 53.43 H new ATOM 0 HE ARG A 10 76.173 14.215 5.558 1.00 61.25 H new ATOM 0 HH11 ARG A 10 76.596 17.724 5.569 1.00 11.40 H new ATOM 0 HH12 ARG A 10 76.088 17.907 3.887 1.00 11.40 H new ATOM 0 HH21 ARG A 10 75.477 14.469 3.407 1.00 60.33 H new ATOM 0 HH22 ARG A 10 75.458 16.074 2.669 1.00 60.33 H new ATOM 163 N ASN A 11 76.341 18.215 9.105 1.00 4.11 N ATOM 164 CA ASN A 11 75.039 18.718 9.564 1.00 44.33 C ATOM 165 C ASN A 11 75.197 19.788 10.645 1.00 62.55 C ATOM 166 O ASN A 11 75.192 19.485 11.840 1.00 3.33 O ATOM 167 CB ASN A 11 74.145 17.579 10.080 1.00 42.41 C ATOM 168 CG ASN A 11 72.745 18.055 10.446 1.00 62.50 C ATOM 169 OD1 ASN A 11 72.203 18.973 9.828 1.00 63.14 O ATOM 170 ND2 ASN A 11 72.152 17.441 11.462 1.00 43.24 N ATOM 0 H ASN A 11 76.553 18.449 8.135 1.00 4.11 H new ATOM 0 HA ASN A 11 74.556 19.172 8.699 1.00 44.33 H new ATOM 0 HB2 ASN A 11 74.074 16.804 9.317 1.00 42.41 H new ATOM 0 HB3 ASN A 11 74.610 17.124 10.954 1.00 42.41 H new ATOM 0 HD21 ASN A 11 71.217 17.725 11.754 1.00 43.24 H new ATOM 0 HD22 ASN A 11 72.631 16.685 11.951 1.00 43.24 H new ATOM 177 N PRO A 12 75.368 21.057 10.234 1.00 71.33 N ATOM 178 CA PRO A 12 75.462 22.190 11.162 1.00 34.14 C ATOM 179 C PRO A 12 74.130 22.461 11.856 1.00 51.42 C ATOM 180 O PRO A 12 74.098 23.001 12.965 1.00 63.23 O ATOM 181 CB PRO A 12 75.847 23.378 10.265 1.00 5.44 C ATOM 182 CG PRO A 12 76.252 22.778 8.959 1.00 13.40 C ATOM 183 CD PRO A 12 75.488 21.493 8.837 1.00 22.12 C ATOM 0 HA PRO A 12 76.181 22.003 11.959 1.00 34.14 H new ATOM 0 HB2 PRO A 12 75.008 24.062 10.139 1.00 5.44 H new ATOM 0 HB3 PRO A 12 76.664 23.952 10.703 1.00 5.44 H new ATOM 0 HG2 PRO A 12 76.019 23.450 8.133 1.00 13.40 H new ATOM 0 HG3 PRO A 12 77.326 22.597 8.930 1.00 13.40 H new ATOM 0 HD2 PRO A 12 74.513 21.644 8.374 1.00 22.12 H new ATOM 0 HD3 PRO A 12 76.020 20.762 8.228 1.00 22.12 H new ATOM 191 N ASN A 13 73.041 22.066 11.190 1.00 41.30 N ATOM 192 CA ASN A 13 71.676 22.244 11.698 1.00 75.43 C ATOM 193 C ASN A 13 71.254 23.710 11.664 1.00 53.44 C ATOM 194 O ASN A 13 71.839 24.562 12.337 1.00 60.03 O ATOM 195 CB ASN A 13 71.519 21.675 13.118 1.00 5.35 C ATOM 196 CG ASN A 13 70.121 21.881 13.683 1.00 12.51 C ATOM 197 OD1 ASN A 13 69.212 21.099 13.407 1.00 74.54 O ATOM 198 ND2 ASN A 13 69.943 22.913 14.494 1.00 31.22 N ATOM 0 H ASN A 13 73.081 21.611 10.278 1.00 41.30 H new ATOM 0 HA ASN A 13 71.017 21.683 11.035 1.00 75.43 H new ATOM 0 HB2 ASN A 13 71.748 20.609 13.105 1.00 5.35 H new ATOM 0 HB3 ASN A 13 72.246 22.149 13.777 1.00 5.35 H new ATOM 0 HD21 ASN A 13 69.028 23.081 14.913 1.00 31.22 H new ATOM 0 HD22 ASN A 13 70.721 23.540 14.700 1.00 31.22 H new ATOM 205 N PHE A 14 70.233 23.997 10.871 1.00 62.35 N ATOM 206 CA PHE A 14 69.705 25.349 10.755 1.00 0.14 C ATOM 207 C PHE A 14 68.207 25.325 10.478 1.00 75.23 C ATOM 208 O PHE A 14 67.762 24.922 9.399 1.00 23.43 O ATOM 209 CB PHE A 14 70.429 26.122 9.647 1.00 41.22 C ATOM 210 CG PHE A 14 69.878 27.505 9.421 1.00 21.33 C ATOM 211 CD1 PHE A 14 70.160 28.529 10.307 1.00 5.43 C ATOM 212 CD2 PHE A 14 69.077 27.776 8.322 1.00 23.12 C ATOM 213 CE1 PHE A 14 69.652 29.799 10.105 1.00 32.32 C ATOM 214 CE2 PHE A 14 68.567 29.041 8.114 1.00 54.41 C ATOM 215 CZ PHE A 14 68.854 30.054 9.006 1.00 3.14 C ATOM 0 H PHE A 14 69.751 23.307 10.295 1.00 62.35 H new ATOM 0 HA PHE A 14 69.876 25.856 11.705 1.00 0.14 H new ATOM 0 HB2 PHE A 14 71.487 26.198 9.899 1.00 41.22 H new ATOM 0 HB3 PHE A 14 70.363 25.557 8.717 1.00 41.22 H new ATOM 0 HD1 PHE A 14 70.784 28.334 11.167 1.00 5.43 H new ATOM 0 HD2 PHE A 14 68.850 26.987 7.620 1.00 23.12 H new ATOM 0 HE1 PHE A 14 69.878 30.590 10.805 1.00 32.32 H new ATOM 0 HE2 PHE A 14 67.944 29.238 7.254 1.00 54.41 H new ATOM 0 HZ PHE A 14 68.455 31.045 8.845 1.00 3.14 H new ATOM 225 N GLY A 15 67.433 25.751 11.462 1.00 54.15 N ATOM 226 CA GLY A 15 66.004 25.871 11.283 1.00 71.23 C ATOM 227 C GLY A 15 65.584 27.317 11.159 1.00 65.22 C ATOM 228 O GLY A 15 65.750 28.099 12.096 1.00 42.44 O ATOM 0 H GLY A 15 67.772 26.017 12.387 1.00 54.15 H new ATOM 0 HA2 GLY A 15 65.700 25.324 10.390 1.00 71.23 H new ATOM 0 HA3 GLY A 15 65.490 25.412 12.128 1.00 71.23 H new ATOM 232 N GLY A 16 65.056 27.678 10.003 1.00 14.53 N ATOM 233 CA GLY A 16 64.645 29.046 9.773 1.00 0.24 C ATOM 234 C GLY A 16 63.205 29.279 10.169 1.00 22.35 C ATOM 235 O GLY A 16 62.469 28.328 10.437 1.00 73.33 O ATOM 0 H GLY A 16 64.904 27.047 9.216 1.00 14.53 H new ATOM 0 HA2 GLY A 16 65.290 29.718 10.339 1.00 0.24 H new ATOM 0 HA3 GLY A 16 64.775 29.291 8.719 1.00 0.24 H new ATOM 239 N ASN A 17 62.799 30.537 10.210 1.00 43.33 N ATOM 240 CA ASN A 17 61.434 30.878 10.581 1.00 1.12 C ATOM 241 C ASN A 17 60.574 31.013 9.330 1.00 62.33 C ATOM 242 O ASN A 17 61.053 31.478 8.294 1.00 61.32 O ATOM 243 CB ASN A 17 61.405 32.192 11.371 1.00 21.55 C ATOM 244 CG ASN A 17 62.346 32.184 12.561 1.00 72.14 C ATOM 245 OD1 ASN A 17 63.507 32.581 12.452 1.00 51.22 O ATOM 246 ND2 ASN A 17 61.855 31.734 13.702 1.00 0.34 N ATOM 0 H ASN A 17 63.392 31.338 9.992 1.00 43.33 H new ATOM 0 HA ASN A 17 61.036 30.081 11.209 1.00 1.12 H new ATOM 0 HB2 ASN A 17 61.672 33.015 10.708 1.00 21.55 H new ATOM 0 HB3 ASN A 17 60.389 32.379 11.718 1.00 21.55 H new ATOM 0 HD21 ASN A 17 62.443 31.706 14.535 1.00 0.34 H new ATOM 0 HD22 ASN A 17 60.888 31.414 13.750 1.00 0.34 H new ATOM 253 N PRO A 18 59.306 30.581 9.397 1.00 24.35 N ATOM 254 CA PRO A 18 58.355 30.727 8.292 1.00 21.23 C ATOM 255 C PRO A 18 57.800 32.148 8.185 1.00 14.44 C ATOM 256 O PRO A 18 57.436 32.597 7.096 1.00 61.41 O ATOM 257 CB PRO A 18 57.228 29.742 8.643 1.00 45.30 C ATOM 258 CG PRO A 18 57.710 28.978 9.836 1.00 32.23 C ATOM 259 CD PRO A 18 58.707 29.862 10.523 1.00 15.21 C ATOM 0 HA PRO A 18 58.826 30.528 7.330 1.00 21.23 H new ATOM 0 HB2 PRO A 18 56.302 30.271 8.866 1.00 45.30 H new ATOM 0 HB3 PRO A 18 57.020 29.073 7.808 1.00 45.30 H new ATOM 0 HG2 PRO A 18 56.883 28.733 10.502 1.00 32.23 H new ATOM 0 HG3 PRO A 18 58.167 28.035 9.536 1.00 32.23 H new ATOM 0 HD2 PRO A 18 58.231 30.539 11.232 1.00 15.21 H new ATOM 0 HD3 PRO A 18 59.447 29.287 11.079 1.00 15.21 H new ATOM 267 N ASN A 19 57.740 32.839 9.328 1.00 23.42 N ATOM 268 CA ASN A 19 57.247 34.219 9.403 1.00 64.52 C ATOM 269 C ASN A 19 55.764 34.309 9.050 1.00 63.24 C ATOM 270 O ASN A 19 55.113 33.297 8.774 1.00 74.52 O ATOM 271 CB ASN A 19 58.061 35.149 8.492 1.00 34.52 C ATOM 272 CG ASN A 19 59.464 35.412 9.009 1.00 65.20 C ATOM 273 OD1 ASN A 19 60.082 34.561 9.646 1.00 30.24 O ATOM 274 ND2 ASN A 19 59.980 36.596 8.725 1.00 44.43 N ATOM 0 H ASN A 19 58.032 32.458 10.228 1.00 23.42 H new ATOM 0 HA ASN A 19 57.371 34.544 10.436 1.00 64.52 H new ATOM 0 HB2 ASN A 19 58.124 34.709 7.497 1.00 34.52 H new ATOM 0 HB3 ASN A 19 57.535 36.098 8.388 1.00 34.52 H new ATOM 0 HD21 ASN A 19 60.923 36.830 9.037 1.00 44.43 H new ATOM 0 HD22 ASN A 19 59.435 37.276 8.194 1.00 44.43 H new ATOM 281 N ASN A 20 55.226 35.522 9.095 1.00 0.34 N ATOM 282 CA ASN A 20 53.830 35.766 8.752 1.00 2.02 C ATOM 283 C ASN A 20 53.636 37.204 8.273 1.00 40.34 C ATOM 284 O ASN A 20 54.163 38.143 8.874 1.00 74.24 O ATOM 285 CB ASN A 20 52.925 35.479 9.956 1.00 1.51 C ATOM 286 CG ASN A 20 51.474 35.844 9.703 1.00 51.11 C ATOM 287 OD1 ASN A 20 51.039 36.955 10.005 1.00 52.43 O ATOM 288 ND2 ASN A 20 50.713 34.914 9.152 1.00 2.01 N ATOM 0 H ASN A 20 55.741 36.359 9.368 1.00 0.34 H new ATOM 0 HA ASN A 20 53.554 35.093 7.940 1.00 2.02 H new ATOM 0 HB2 ASN A 20 52.990 34.421 10.209 1.00 1.51 H new ATOM 0 HB3 ASN A 20 53.289 36.036 10.819 1.00 1.51 H new ATOM 0 HD21 ASN A 20 49.729 35.106 8.963 1.00 2.01 H new ATOM 0 HD22 ASN A 20 51.110 34.005 8.916 1.00 2.01 H new ATOM 295 N GLY A 21 52.882 37.374 7.194 1.00 62.44 N ATOM 296 CA GLY A 21 52.661 38.698 6.649 1.00 13.55 C ATOM 297 C GLY A 21 51.636 38.708 5.534 1.00 0.45 C ATOM 298 O GLY A 21 51.990 38.774 4.356 1.00 25.41 O ATOM 0 H GLY A 21 52.420 36.619 6.687 1.00 62.44 H new ATOM 0 HA2 GLY A 21 52.331 39.364 7.446 1.00 13.55 H new ATOM 0 HA3 GLY A 21 53.604 39.094 6.273 1.00 13.55 H new ATOM 302 N ALA A 22 50.369 38.640 5.905 1.00 11.14 N ATOM 303 CA ALA A 22 49.278 38.672 4.945 1.00 24.15 C ATOM 304 C ALA A 22 48.045 39.307 5.572 1.00 21.32 C ATOM 305 O ALA A 22 47.464 38.764 6.513 1.00 64.10 O ATOM 306 CB ALA A 22 48.962 37.272 4.445 1.00 21.11 C ATOM 0 H ALA A 22 50.068 38.561 6.876 1.00 11.14 H new ATOM 0 HA ALA A 22 49.585 39.276 4.091 1.00 24.15 H new ATOM 0 HB1 ALA A 22 48.143 37.318 3.728 1.00 21.11 H new ATOM 0 HB2 ALA A 22 49.844 36.850 3.962 1.00 21.11 H new ATOM 0 HB3 ALA A 22 48.673 36.642 5.286 1.00 21.11 H new ATOM 312 N PHE A 23 47.657 40.461 5.050 1.00 32.04 N ATOM 313 CA PHE A 23 46.552 41.224 5.616 1.00 53.22 C ATOM 314 C PHE A 23 45.334 41.186 4.702 1.00 65.32 C ATOM 315 O PHE A 23 44.200 41.342 5.163 1.00 62.34 O ATOM 316 CB PHE A 23 46.977 42.679 5.841 1.00 65.22 C ATOM 317 CG PHE A 23 48.186 42.839 6.718 1.00 71.25 C ATOM 318 CD1 PHE A 23 49.456 42.902 6.166 1.00 53.43 C ATOM 319 CD2 PHE A 23 48.053 42.928 8.091 1.00 21.43 C ATOM 320 CE1 PHE A 23 50.571 43.047 6.967 1.00 0.12 C ATOM 321 CE2 PHE A 23 49.163 43.075 8.900 1.00 3.24 C ATOM 322 CZ PHE A 23 50.424 43.133 8.337 1.00 64.54 C ATOM 0 H PHE A 23 48.091 40.891 4.234 1.00 32.04 H new ATOM 0 HA PHE A 23 46.284 40.770 6.570 1.00 53.22 H new ATOM 0 HB2 PHE A 23 47.180 43.140 4.874 1.00 65.22 H new ATOM 0 HB3 PHE A 23 46.145 43.224 6.286 1.00 65.22 H new ATOM 0 HD1 PHE A 23 49.575 42.837 5.095 1.00 53.43 H new ATOM 0 HD2 PHE A 23 47.070 42.882 8.536 1.00 21.43 H new ATOM 0 HE1 PHE A 23 51.555 43.093 6.524 1.00 0.12 H new ATOM 0 HE2 PHE A 23 49.046 43.145 9.971 1.00 3.24 H new ATOM 0 HZ PHE A 23 51.293 43.245 8.968 1.00 64.54 H new ATOM 332 N LEU A 24 45.581 40.968 3.410 1.00 53.34 N ATOM 333 CA LEU A 24 44.531 40.983 2.394 1.00 51.34 C ATOM 334 C LEU A 24 43.832 42.339 2.376 1.00 45.44 C ATOM 335 O LEU A 24 42.614 42.435 2.561 1.00 10.11 O ATOM 336 CB LEU A 24 43.509 39.855 2.615 1.00 62.32 C ATOM 337 CG LEU A 24 43.992 38.433 2.292 1.00 3.14 C ATOM 338 CD1 LEU A 24 44.959 37.922 3.352 1.00 23.03 C ATOM 339 CD2 LEU A 24 42.806 37.492 2.156 1.00 11.23 C ATOM 0 H LEU A 24 46.512 40.777 3.040 1.00 53.34 H new ATOM 0 HA LEU A 24 45.004 40.813 1.427 1.00 51.34 H new ATOM 0 HB2 LEU A 24 43.190 39.881 3.657 1.00 62.32 H new ATOM 0 HB3 LEU A 24 42.629 40.065 2.007 1.00 62.32 H new ATOM 0 HG LEU A 24 44.526 38.467 1.343 1.00 3.14 H new ATOM 0 HD11 LEU A 24 45.282 36.913 3.094 1.00 23.03 H new ATOM 0 HD12 LEU A 24 45.827 38.580 3.400 1.00 23.03 H new ATOM 0 HD13 LEU A 24 44.461 37.907 4.322 1.00 23.03 H new ATOM 0 HD21 LEU A 24 43.163 36.488 1.927 1.00 11.23 H new ATOM 0 HD22 LEU A 24 42.247 37.474 3.091 1.00 11.23 H new ATOM 0 HD23 LEU A 24 42.157 37.839 1.352 1.00 11.23 H new ATOM 351 N LEU A 25 44.614 43.384 2.148 1.00 14.23 N ATOM 352 CA LEU A 25 44.103 44.747 2.171 1.00 22.42 C ATOM 353 C LEU A 25 43.491 45.127 0.828 1.00 42.44 C ATOM 354 O LEU A 25 43.895 46.110 0.205 1.00 41.32 O ATOM 355 CB LEU A 25 45.224 45.726 2.530 1.00 52.44 C ATOM 356 CG LEU A 25 45.844 45.532 3.915 1.00 3.52 C ATOM 357 CD1 LEU A 25 46.994 46.506 4.124 1.00 35.34 C ATOM 358 CD2 LEU A 25 44.793 45.715 4.999 1.00 34.05 C ATOM 0 H LEU A 25 45.611 43.313 1.944 1.00 14.23 H new ATOM 0 HA LEU A 25 43.322 44.801 2.930 1.00 22.42 H new ATOM 0 HB2 LEU A 25 46.012 45.640 1.782 1.00 52.44 H new ATOM 0 HB3 LEU A 25 44.832 46.741 2.465 1.00 52.44 H new ATOM 0 HG LEU A 25 46.234 44.516 3.978 1.00 3.52 H new ATOM 0 HD11 LEU A 25 47.424 46.354 5.114 1.00 35.34 H new ATOM 0 HD12 LEU A 25 47.759 46.334 3.366 1.00 35.34 H new ATOM 0 HD13 LEU A 25 46.625 47.528 4.041 1.00 35.34 H new ATOM 0 HD21 LEU A 25 45.251 45.573 5.978 1.00 34.05 H new ATOM 0 HD22 LEU A 25 44.376 46.720 4.935 1.00 34.05 H new ATOM 0 HD23 LEU A 25 43.997 44.983 4.862 1.00 34.05 H new ATOM 370 N ASN A 26 42.520 44.345 0.384 1.00 73.20 N ATOM 371 CA ASN A 26 41.818 44.636 -0.858 1.00 60.40 C ATOM 372 C ASN A 26 40.654 45.574 -0.582 1.00 55.24 C ATOM 373 O ASN A 26 39.513 45.135 -0.413 1.00 70.31 O ATOM 374 CB ASN A 26 41.297 43.356 -1.527 1.00 52.12 C ATOM 375 CG ASN A 26 42.397 42.410 -1.977 1.00 31.52 C ATOM 376 OD1 ASN A 26 43.465 42.329 -1.369 1.00 61.41 O ATOM 377 ND2 ASN A 26 42.142 41.694 -3.060 1.00 0.40 N ATOM 0 H ASN A 26 42.199 43.504 0.864 1.00 73.20 H new ATOM 0 HA ASN A 26 42.526 45.109 -1.538 1.00 60.40 H new ATOM 0 HB2 ASN A 26 40.643 42.833 -0.830 1.00 52.12 H new ATOM 0 HB3 ASN A 26 40.690 43.629 -2.390 1.00 52.12 H new ATOM 0 HD21 ASN A 26 42.843 41.046 -3.420 1.00 0.40 H new ATOM 0 HD22 ASN A 26 41.245 41.790 -3.535 1.00 0.40 H new ATOM 384 N SER A 27 40.954 46.861 -0.488 1.00 41.42 N ATOM 385 CA SER A 27 39.944 47.861 -0.190 1.00 71.35 C ATOM 386 C SER A 27 39.310 48.377 -1.475 1.00 32.44 C ATOM 387 O SER A 27 38.093 48.300 -1.648 1.00 10.41 O ATOM 388 CB SER A 27 40.573 49.014 0.594 1.00 30.22 C ATOM 389 OG SER A 27 41.326 48.527 1.694 1.00 62.34 O ATOM 0 H SER A 27 41.894 47.237 -0.615 1.00 41.42 H new ATOM 0 HA SER A 27 39.163 47.404 0.417 1.00 71.35 H new ATOM 0 HB2 SER A 27 41.218 49.597 -0.064 1.00 30.22 H new ATOM 0 HB3 SER A 27 39.792 49.685 0.951 1.00 30.22 H new ATOM 0 HG SER A 27 41.720 49.281 2.180 1.00 62.34 H new ATOM 395 N ALA A 28 40.156 48.890 -2.372 1.00 11.40 N ATOM 396 CA ALA A 28 39.731 49.407 -3.673 1.00 74.12 C ATOM 397 C ALA A 28 38.829 50.632 -3.539 1.00 32.20 C ATOM 398 O ALA A 28 39.305 51.767 -3.628 1.00 40.33 O ATOM 399 CB ALA A 28 39.054 48.316 -4.501 1.00 11.11 C ATOM 0 H ALA A 28 41.161 48.958 -2.214 1.00 11.40 H new ATOM 0 HA ALA A 28 40.630 49.728 -4.199 1.00 74.12 H new ATOM 0 HB1 ALA A 28 38.748 48.727 -5.463 1.00 11.11 H new ATOM 0 HB2 ALA A 28 39.753 47.495 -4.663 1.00 11.11 H new ATOM 0 HB3 ALA A 28 38.177 47.946 -3.969 1.00 11.11 H new ATOM 405 N GLN A 29 37.539 50.391 -3.298 1.00 51.32 N ATOM 406 CA GLN A 29 36.518 51.439 -3.257 1.00 50.44 C ATOM 407 C GLN A 29 36.316 52.051 -4.641 1.00 51.32 C ATOM 408 O GLN A 29 35.315 51.775 -5.305 1.00 65.31 O ATOM 409 CB GLN A 29 36.869 52.528 -2.233 1.00 25.01 C ATOM 410 CG GLN A 29 36.883 52.033 -0.795 1.00 22.41 C ATOM 411 CD GLN A 29 37.258 53.123 0.190 1.00 13.34 C ATOM 412 OE1 GLN A 29 38.430 53.303 0.518 1.00 43.24 O ATOM 413 NE2 GLN A 29 36.265 53.862 0.661 1.00 45.43 N ATOM 0 H GLN A 29 37.171 49.456 -3.124 1.00 51.32 H new ATOM 0 HA GLN A 29 35.583 50.975 -2.942 1.00 50.44 H new ATOM 0 HB2 GLN A 29 37.848 52.940 -2.476 1.00 25.01 H new ATOM 0 HB3 GLN A 29 36.150 53.342 -2.321 1.00 25.01 H new ATOM 0 HG2 GLN A 29 35.899 51.640 -0.540 1.00 22.41 H new ATOM 0 HG3 GLN A 29 37.589 51.208 -0.705 1.00 22.41 H new ATOM 0 HE21 GLN A 29 35.307 53.679 0.363 1.00 45.43 H new ATOM 0 HE22 GLN A 29 36.458 54.614 1.322 1.00 45.43 H new ATOM 422 N ALA A 30 37.289 52.859 -5.066 1.00 32.35 N ATOM 423 CA ALA A 30 37.297 53.494 -6.384 1.00 75.25 C ATOM 424 C ALA A 30 36.183 54.528 -6.543 1.00 2.24 C ATOM 425 O ALA A 30 35.031 54.300 -6.173 1.00 44.53 O ATOM 426 CB ALA A 30 37.221 52.453 -7.491 1.00 53.52 C ATOM 0 H ALA A 30 38.103 53.093 -4.498 1.00 32.35 H new ATOM 0 HA ALA A 30 38.244 54.027 -6.468 1.00 75.25 H new ATOM 0 HB1 ALA A 30 37.229 52.951 -8.460 1.00 53.52 H new ATOM 0 HB2 ALA A 30 38.078 51.784 -7.420 1.00 53.52 H new ATOM 0 HB3 ALA A 30 36.302 51.877 -7.386 1.00 53.52 H new ATOM 432 N GLN A 31 36.544 55.672 -7.105 1.00 62.43 N ATOM 433 CA GLN A 31 35.588 56.735 -7.386 1.00 45.15 C ATOM 434 C GLN A 31 34.973 56.524 -8.766 1.00 11.34 C ATOM 435 O GLN A 31 34.259 57.386 -9.281 1.00 33.30 O ATOM 436 CB GLN A 31 36.269 58.111 -7.325 1.00 15.14 C ATOM 437 CG GLN A 31 37.055 58.365 -6.044 1.00 52.33 C ATOM 438 CD GLN A 31 38.495 57.871 -6.115 1.00 4.22 C ATOM 439 OE1 GLN A 31 38.816 56.932 -6.843 1.00 75.53 O ATOM 440 NE2 GLN A 31 39.372 58.496 -5.349 1.00 5.45 N ATOM 0 H GLN A 31 37.502 55.890 -7.378 1.00 62.43 H new ATOM 0 HA GLN A 31 34.804 56.704 -6.629 1.00 45.15 H new ATOM 0 HB2 GLN A 31 36.943 58.208 -8.176 1.00 15.14 H new ATOM 0 HB3 GLN A 31 35.509 58.885 -7.430 1.00 15.14 H new ATOM 0 HG2 GLN A 31 37.055 59.434 -5.831 1.00 52.33 H new ATOM 0 HG3 GLN A 31 36.550 57.874 -5.212 1.00 52.33 H new ATOM 0 HE21 GLN A 31 39.072 59.271 -4.757 1.00 5.45 H new ATOM 0 HE22 GLN A 31 40.349 58.204 -5.349 1.00 5.45 H new ATOM 449 N ASN A 32 35.280 55.364 -9.351 1.00 32.35 N ATOM 450 CA ASN A 32 34.772 54.961 -10.662 1.00 60.00 C ATOM 451 C ASN A 32 35.391 55.819 -11.770 1.00 24.31 C ATOM 452 O ASN A 32 36.183 56.724 -11.500 1.00 12.35 O ATOM 453 CB ASN A 32 33.235 55.019 -10.699 1.00 55.23 C ATOM 454 CG ASN A 32 32.649 54.221 -11.849 1.00 52.21 C ATOM 455 OD1 ASN A 32 33.264 53.279 -12.344 1.00 64.01 O ATOM 456 ND2 ASN A 32 31.448 54.575 -12.267 1.00 12.22 N ATOM 0 H ASN A 32 35.895 54.672 -8.923 1.00 32.35 H new ATOM 0 HA ASN A 32 35.065 53.926 -10.839 1.00 60.00 H new ATOM 0 HB2 ASN A 32 32.838 54.639 -9.758 1.00 55.23 H new ATOM 0 HB3 ASN A 32 32.916 56.058 -10.783 1.00 55.23 H new ATOM 0 HD21 ASN A 32 31.000 54.061 -13.025 1.00 12.22 H new ATOM 0 HD22 ASN A 32 30.968 55.363 -11.832 1.00 12.22 H new ATOM 463 N SER A 33 35.053 55.524 -13.017 1.00 43.41 N ATOM 464 CA SER A 33 35.654 56.217 -14.146 1.00 24.32 C ATOM 465 C SER A 33 34.726 57.284 -14.727 1.00 0.13 C ATOM 466 O SER A 33 34.909 57.724 -15.864 1.00 23.01 O ATOM 467 CB SER A 33 36.045 55.205 -15.224 1.00 74.21 C ATOM 468 OG SER A 33 36.946 54.236 -14.703 1.00 5.52 O ATOM 0 H SER A 33 34.368 54.812 -13.271 1.00 43.41 H new ATOM 0 HA SER A 33 36.546 56.730 -13.786 1.00 24.32 H new ATOM 0 HB2 SER A 33 35.152 54.710 -15.606 1.00 74.21 H new ATOM 0 HB3 SER A 33 36.507 55.723 -16.065 1.00 74.21 H new ATOM 0 HG SER A 33 37.183 53.597 -15.407 1.00 5.52 H new ATOM 474 N TYR A 34 33.742 57.717 -13.944 1.00 44.31 N ATOM 475 CA TYR A 34 32.883 58.824 -14.358 1.00 61.24 C ATOM 476 C TYR A 34 33.631 60.135 -14.177 1.00 73.24 C ATOM 477 O TYR A 34 33.451 60.841 -13.186 1.00 62.43 O ATOM 478 CB TYR A 34 31.574 58.861 -13.561 1.00 13.13 C ATOM 479 CG TYR A 34 30.656 57.679 -13.791 1.00 74.24 C ATOM 480 CD1 TYR A 34 30.693 56.956 -14.974 1.00 25.42 C ATOM 481 CD2 TYR A 34 29.735 57.302 -12.821 1.00 64.13 C ATOM 482 CE1 TYR A 34 29.846 55.885 -15.180 1.00 53.30 C ATOM 483 CE2 TYR A 34 28.886 56.231 -13.019 1.00 70.13 C ATOM 484 CZ TYR A 34 28.943 55.529 -14.201 1.00 21.34 C ATOM 485 OH TYR A 34 28.101 54.457 -14.397 1.00 74.43 O ATOM 0 H TYR A 34 33.520 57.324 -13.029 1.00 44.31 H new ATOM 0 HA TYR A 34 32.626 58.677 -15.407 1.00 61.24 H new ATOM 0 HB2 TYR A 34 31.813 58.916 -12.499 1.00 13.13 H new ATOM 0 HB3 TYR A 34 31.037 59.775 -13.814 1.00 13.13 H new ATOM 0 HD1 TYR A 34 31.395 57.235 -15.746 1.00 25.42 H new ATOM 0 HD2 TYR A 34 29.682 57.857 -11.896 1.00 64.13 H new ATOM 0 HE1 TYR A 34 29.891 55.328 -16.104 1.00 53.30 H new ATOM 0 HE2 TYR A 34 28.182 55.946 -12.251 1.00 70.13 H new ATOM 0 HH TYR A 34 27.529 54.342 -13.609 1.00 74.43 H new ATOM 495 N LYS A 35 34.502 60.438 -15.122 1.00 52.32 N ATOM 496 CA LYS A 35 35.353 61.602 -15.013 1.00 32.34 C ATOM 497 C LYS A 35 34.760 62.781 -15.777 1.00 3.52 C ATOM 498 O LYS A 35 35.081 63.015 -16.950 1.00 34.43 O ATOM 499 CB LYS A 35 36.761 61.266 -15.507 1.00 4.45 C ATOM 500 CG LYS A 35 37.796 62.340 -15.219 1.00 64.01 C ATOM 501 CD LYS A 35 39.206 61.780 -15.316 1.00 53.33 C ATOM 502 CE LYS A 35 39.473 60.774 -14.206 1.00 71.43 C ATOM 503 NZ LYS A 35 40.771 60.072 -14.383 1.00 25.44 N1+ ATOM 0 H LYS A 35 34.637 59.892 -15.973 1.00 52.32 H new ATOM 0 HA LYS A 35 35.419 61.895 -13.965 1.00 32.34 H new ATOM 0 HB2 LYS A 35 37.083 60.333 -15.044 1.00 4.45 H new ATOM 0 HB3 LYS A 35 36.724 61.092 -16.582 1.00 4.45 H new ATOM 0 HG2 LYS A 35 37.678 63.162 -15.925 1.00 64.01 H new ATOM 0 HG3 LYS A 35 37.632 62.750 -14.223 1.00 64.01 H new ATOM 0 HD2 LYS A 35 39.345 61.302 -16.286 1.00 53.33 H new ATOM 0 HD3 LYS A 35 39.929 62.594 -15.255 1.00 53.33 H new ATOM 0 HE2 LYS A 35 39.468 61.287 -13.244 1.00 71.43 H new ATOM 0 HE3 LYS A 35 38.666 60.041 -14.181 1.00 71.43 H new ATOM 0 HZ1 LYS A 35 40.910 59.397 -13.604 1.00 25.44 H new ATOM 0 HZ2 LYS A 35 40.768 59.560 -15.288 1.00 25.44 H new ATOM 0 HZ3 LYS A 35 41.545 60.767 -14.381 1.00 25.44 H new ATOM 517 N ASP A 36 33.848 63.475 -15.107 1.00 74.53 N ATOM 518 CA ASP A 36 33.241 64.696 -15.620 1.00 12.22 C ATOM 519 C ASP A 36 32.587 65.445 -14.452 1.00 2.12 C ATOM 520 O ASP A 36 32.311 64.842 -13.416 1.00 1.02 O ATOM 521 CB ASP A 36 32.228 64.391 -16.743 1.00 13.10 C ATOM 522 CG ASP A 36 30.941 63.748 -16.265 1.00 53.20 C ATOM 523 OD1 ASP A 36 30.943 62.532 -15.982 1.00 0.23 O ATOM 524 OD2 ASP A 36 29.904 64.449 -16.226 1.00 61.43 O1- ATOM 0 H ASP A 36 33.507 63.204 -14.185 1.00 74.53 H new ATOM 0 HA ASP A 36 34.010 65.328 -16.065 1.00 12.22 H new ATOM 0 HB2 ASP A 36 31.986 65.320 -17.260 1.00 13.10 H new ATOM 0 HB3 ASP A 36 32.700 63.733 -17.473 1.00 13.10 H new ATOM 529 N PRO A 37 32.365 66.766 -14.588 1.00 13.20 N ATOM 530 CA PRO A 37 31.879 67.624 -13.494 1.00 63.51 C ATOM 531 C PRO A 37 30.613 67.114 -12.799 1.00 54.33 C ATOM 532 O PRO A 37 29.786 66.424 -13.400 1.00 45.11 O ATOM 533 CB PRO A 37 31.595 68.971 -14.177 1.00 21.24 C ATOM 534 CG PRO A 37 31.626 68.689 -15.641 1.00 41.34 C ATOM 535 CD PRO A 37 32.576 67.544 -15.813 1.00 70.22 C ATOM 0 HA PRO A 37 32.620 67.666 -12.696 1.00 63.51 H new ATOM 0 HB2 PRO A 37 30.626 69.368 -13.874 1.00 21.24 H new ATOM 0 HB3 PRO A 37 32.344 69.715 -13.905 1.00 21.24 H new ATOM 0 HG2 PRO A 37 30.633 68.433 -16.012 1.00 41.34 H new ATOM 0 HG3 PRO A 37 31.960 69.562 -16.201 1.00 41.34 H new ATOM 0 HD2 PRO A 37 32.351 66.962 -16.707 1.00 70.22 H new ATOM 0 HD3 PRO A 37 33.608 67.884 -15.905 1.00 70.22 H new ATOM 543 N SER A 38 30.495 67.473 -11.519 1.00 14.04 N ATOM 544 CA SER A 38 29.331 67.167 -10.690 1.00 55.00 C ATOM 545 C SER A 38 29.305 65.703 -10.251 1.00 15.51 C ATOM 546 O SER A 38 28.294 65.213 -9.745 1.00 61.15 O ATOM 547 CB SER A 38 28.037 67.558 -11.407 1.00 62.11 C ATOM 548 OG SER A 38 28.038 68.949 -11.700 1.00 2.22 O ATOM 0 H SER A 38 31.219 67.993 -11.023 1.00 14.04 H new ATOM 0 HA SER A 38 29.411 67.765 -9.782 1.00 55.00 H new ATOM 0 HB2 SER A 38 27.936 66.985 -12.329 1.00 62.11 H new ATOM 0 HB3 SER A 38 27.178 67.311 -10.783 1.00 62.11 H new ATOM 0 HG SER A 38 28.775 69.383 -11.223 1.00 2.22 H new ATOM 554 N TYR A 39 30.424 65.015 -10.417 1.00 43.44 N ATOM 555 CA TYR A 39 30.574 63.678 -9.868 1.00 20.45 C ATOM 556 C TYR A 39 31.768 63.648 -8.921 1.00 62.10 C ATOM 557 O TYR A 39 32.885 63.323 -9.319 1.00 24.30 O ATOM 558 CB TYR A 39 30.731 62.631 -10.974 1.00 32.34 C ATOM 559 CG TYR A 39 30.668 61.207 -10.461 1.00 55.01 C ATOM 560 CD1 TYR A 39 29.454 60.632 -10.102 1.00 1.41 C ATOM 561 CD2 TYR A 39 31.819 60.440 -10.328 1.00 62.40 C ATOM 562 CE1 TYR A 39 29.391 59.337 -9.621 1.00 74.42 C ATOM 563 CE2 TYR A 39 31.762 59.144 -9.852 1.00 23.44 C ATOM 564 CZ TYR A 39 30.549 58.596 -9.500 1.00 40.22 C ATOM 565 OH TYR A 39 30.494 57.309 -9.017 1.00 3.35 O ATOM 0 H TYR A 39 31.238 65.359 -10.926 1.00 43.44 H new ATOM 0 HA TYR A 39 29.669 63.428 -9.314 1.00 20.45 H new ATOM 0 HB2 TYR A 39 29.948 62.777 -11.718 1.00 32.34 H new ATOM 0 HB3 TYR A 39 31.684 62.786 -11.480 1.00 32.34 H new ATOM 0 HD1 TYR A 39 28.545 61.207 -10.200 1.00 1.41 H new ATOM 0 HD2 TYR A 39 32.774 60.864 -10.601 1.00 62.40 H new ATOM 0 HE1 TYR A 39 28.440 58.908 -9.341 1.00 74.42 H new ATOM 0 HE2 TYR A 39 32.667 58.562 -9.756 1.00 23.44 H new ATOM 0 HH TYR A 39 31.397 56.928 -8.997 1.00 3.35 H new ATOM 575 N ASN A 40 31.520 64.058 -7.677 1.00 65.22 N ATOM 576 CA ASN A 40 32.543 64.108 -6.623 1.00 3.22 C ATOM 577 C ASN A 40 33.612 65.165 -6.932 1.00 70.45 C ATOM 578 O ASN A 40 34.595 65.308 -6.200 1.00 15.21 O ATOM 579 CB ASN A 40 33.196 62.731 -6.421 1.00 75.20 C ATOM 580 CG ASN A 40 33.886 62.596 -5.069 1.00 64.02 C ATOM 581 OD1 ASN A 40 33.325 63.220 -4.041 1.00 40.50 O flip ATOM 582 ND2 ASN A 40 34.907 61.917 -4.945 1.00 70.04 N flip ATOM 0 H ASN A 40 30.599 64.367 -7.367 1.00 65.22 H new ATOM 0 HA ASN A 40 32.043 64.392 -5.697 1.00 3.22 H new ATOM 0 HB2 ASN A 40 32.435 61.956 -6.514 1.00 75.20 H new ATOM 0 HB3 ASN A 40 33.924 62.560 -7.214 1.00 75.20 H new ATOM 0 HD21 ASN A 40 35.311 61.451 -5.757 1.00 70.04 H new ATOM 0 HD22 ASN A 40 35.348 61.821 -4.030 1.00 70.04 H new ATOM 589 N ASP A 41 33.397 65.911 -8.010 1.00 1.43 N ATOM 590 CA ASP A 41 34.303 66.977 -8.435 1.00 42.41 C ATOM 591 C ASP A 41 33.605 67.847 -9.468 1.00 73.04 C ATOM 592 O ASP A 41 32.953 67.336 -10.377 1.00 20.40 O ATOM 593 CB ASP A 41 35.592 66.401 -9.034 1.00 75.34 C ATOM 594 CG ASP A 41 36.572 67.479 -9.463 1.00 44.10 C ATOM 595 OD1 ASP A 41 37.506 67.783 -8.687 1.00 61.14 O ATOM 596 OD2 ASP A 41 36.419 68.022 -10.582 1.00 31.02 O1- ATOM 0 H ASP A 41 32.586 65.794 -8.618 1.00 1.43 H new ATOM 0 HA ASP A 41 34.570 67.573 -7.562 1.00 42.41 H new ATOM 0 HB2 ASP A 41 36.070 65.752 -8.300 1.00 75.34 H new ATOM 0 HB3 ASP A 41 35.342 65.780 -9.894 1.00 75.34 H new ATOM 601 N ASP A 42 33.718 69.155 -9.322 1.00 64.11 N ATOM 602 CA ASP A 42 33.081 70.079 -10.253 1.00 22.32 C ATOM 603 C ASP A 42 34.114 70.985 -10.903 1.00 12.21 C ATOM 604 O ASP A 42 33.793 72.082 -11.355 1.00 2.23 O ATOM 605 CB ASP A 42 32.028 70.929 -9.537 1.00 70.12 C ATOM 606 CG ASP A 42 30.773 70.153 -9.190 1.00 70.01 C ATOM 607 OD1 ASP A 42 29.849 70.105 -10.030 1.00 24.15 O ATOM 608 OD2 ASP A 42 30.703 69.599 -8.071 1.00 23.10 O1- ATOM 0 H ASP A 42 34.243 69.604 -8.571 1.00 64.11 H new ATOM 0 HA ASP A 42 32.592 69.488 -11.027 1.00 22.32 H new ATOM 0 HB2 ASP A 42 32.460 71.338 -8.623 1.00 70.12 H new ATOM 0 HB3 ASP A 42 31.761 71.775 -10.170 1.00 70.12 H new ATOM 613 N PHE A 43 35.350 70.516 -10.970 1.00 34.33 N ATOM 614 CA PHE A 43 36.436 71.318 -11.511 1.00 42.52 C ATOM 615 C PHE A 43 36.851 70.819 -12.891 1.00 55.15 C ATOM 616 O PHE A 43 37.397 71.575 -13.695 1.00 42.21 O ATOM 617 CB PHE A 43 37.625 71.310 -10.552 1.00 45.40 C ATOM 618 CG PHE A 43 37.322 71.972 -9.236 1.00 60.21 C ATOM 619 CD1 PHE A 43 36.743 71.258 -8.200 1.00 61.42 C ATOM 620 CD2 PHE A 43 37.602 73.316 -9.043 1.00 74.23 C ATOM 621 CE1 PHE A 43 36.446 71.873 -6.998 1.00 3.13 C ATOM 622 CE2 PHE A 43 37.311 73.932 -7.842 1.00 34.35 C ATOM 623 CZ PHE A 43 36.731 73.211 -6.819 1.00 75.22 C ATOM 0 H PHE A 43 35.626 69.585 -10.657 1.00 34.33 H new ATOM 0 HA PHE A 43 36.084 72.344 -11.621 1.00 42.52 H new ATOM 0 HB2 PHE A 43 37.933 70.280 -10.372 1.00 45.40 H new ATOM 0 HB3 PHE A 43 38.468 71.817 -11.022 1.00 45.40 H new ATOM 0 HD1 PHE A 43 36.521 70.209 -8.333 1.00 61.42 H new ATOM 0 HD2 PHE A 43 38.053 73.888 -9.841 1.00 74.23 H new ATOM 0 HE1 PHE A 43 35.991 71.306 -6.199 1.00 3.13 H new ATOM 0 HE2 PHE A 43 37.538 74.979 -7.703 1.00 34.35 H new ATOM 0 HZ PHE A 43 36.501 73.693 -5.880 1.00 75.22 H new ATOM 633 N GLY A 44 36.571 69.553 -13.174 1.00 3.11 N ATOM 634 CA GLY A 44 36.901 68.995 -14.475 1.00 42.15 C ATOM 635 C GLY A 44 35.847 69.308 -15.521 1.00 3.45 C ATOM 636 O GLY A 44 35.567 68.485 -16.391 1.00 74.52 O ATOM 0 H GLY A 44 36.122 68.903 -12.529 1.00 3.11 H new ATOM 0 HA2 GLY A 44 37.863 69.389 -14.803 1.00 42.15 H new ATOM 0 HA3 GLY A 44 37.012 67.914 -14.387 1.00 42.15 H new ATOM 640 N ILE A 45 35.281 70.510 -15.442 1.00 51.24 N ATOM 641 CA ILE A 45 34.189 70.925 -16.320 1.00 71.42 C ATOM 642 C ILE A 45 34.599 70.862 -17.787 1.00 20.41 C ATOM 643 O ILE A 45 33.962 70.184 -18.592 1.00 25.51 O ATOM 644 CB ILE A 45 33.718 72.361 -15.993 1.00 34.42 C ATOM 645 CG1 ILE A 45 33.295 72.461 -14.526 1.00 11.31 C ATOM 646 CG2 ILE A 45 32.571 72.770 -16.909 1.00 54.24 C ATOM 647 CD1 ILE A 45 32.854 73.849 -14.107 1.00 75.24 C ATOM 0 H ILE A 45 35.565 71.222 -14.770 1.00 51.24 H new ATOM 0 HA ILE A 45 33.368 70.229 -16.147 1.00 71.42 H new ATOM 0 HB ILE A 45 34.550 73.044 -16.161 1.00 34.42 H new ATOM 0 HG12 ILE A 45 32.479 71.761 -14.345 1.00 11.31 H new ATOM 0 HG13 ILE A 45 34.128 72.149 -13.896 1.00 11.31 H new ATOM 0 HG21 ILE A 45 32.253 73.783 -16.664 1.00 54.24 H new ATOM 0 HG22 ILE A 45 32.904 72.735 -17.946 1.00 54.24 H new ATOM 0 HG23 ILE A 45 31.735 72.084 -16.773 1.00 54.24 H new ATOM 0 HD11 ILE A 45 32.570 73.838 -13.055 1.00 75.24 H new ATOM 0 HD12 ILE A 45 33.674 74.551 -14.254 1.00 75.24 H new ATOM 0 HD13 ILE A 45 32.000 74.157 -14.710 1.00 75.24 H new ATOM 659 N GLU A 46 35.671 71.559 -18.126 1.00 65.21 N ATOM 660 CA GLU A 46 36.132 71.616 -19.506 1.00 41.54 C ATOM 661 C GLU A 46 37.292 70.659 -19.732 1.00 5.12 C ATOM 662 O GLU A 46 38.136 70.883 -20.599 1.00 43.23 O ATOM 663 CB GLU A 46 36.538 73.040 -19.873 1.00 55.55 C ATOM 664 CG GLU A 46 35.388 74.025 -19.813 1.00 14.53 C ATOM 665 CD GLU A 46 35.779 75.391 -20.318 1.00 0.14 C ATOM 666 OE1 GLU A 46 36.136 76.254 -19.492 1.00 65.32 O ATOM 667 OE2 GLU A 46 35.730 75.609 -21.546 1.00 5.55 O1- ATOM 0 H GLU A 46 36.238 72.093 -17.467 1.00 65.21 H new ATOM 0 HA GLU A 46 35.309 71.310 -20.151 1.00 41.54 H new ATOM 0 HB2 GLU A 46 37.327 73.371 -19.197 1.00 55.55 H new ATOM 0 HB3 GLU A 46 36.958 73.043 -20.879 1.00 55.55 H new ATOM 0 HG2 GLU A 46 34.556 73.645 -20.406 1.00 14.53 H new ATOM 0 HG3 GLU A 46 35.036 74.107 -18.785 1.00 14.53 H new ATOM 674 N THR A 47 37.321 69.591 -18.954 1.00 53.34 N ATOM 675 CA THR A 47 38.308 68.540 -19.125 1.00 11.21 C ATOM 676 C THR A 47 37.643 67.302 -19.725 1.00 2.33 C ATOM 677 O THR A 47 37.174 66.426 -18.997 1.00 31.14 O ATOM 678 CB THR A 47 38.978 68.169 -17.788 1.00 14.13 C ATOM 679 OG1 THR A 47 39.428 69.359 -17.122 1.00 60.32 O ATOM 680 CG2 THR A 47 40.157 67.231 -18.018 1.00 31.14 C ATOM 0 H THR A 47 36.665 69.429 -18.190 1.00 53.34 H new ATOM 0 HA THR A 47 39.080 68.911 -19.798 1.00 11.21 H new ATOM 0 HB THR A 47 38.245 67.658 -17.164 1.00 14.13 H new ATOM 0 HG1 THR A 47 39.852 69.118 -16.272 1.00 60.32 H new ATOM 0 HG21 THR A 47 40.616 66.982 -17.061 1.00 31.14 H new ATOM 0 HG22 THR A 47 39.807 66.319 -18.501 1.00 31.14 H new ATOM 0 HG23 THR A 47 40.892 67.721 -18.656 1.00 31.14 H new ATOM 688 N PRO A 48 37.551 67.236 -21.062 1.00 63.35 N ATOM 689 CA PRO A 48 36.856 66.150 -21.749 1.00 21.13 C ATOM 690 C PRO A 48 37.513 64.797 -21.501 1.00 23.22 C ATOM 691 O PRO A 48 38.520 64.457 -22.121 1.00 30.10 O ATOM 692 CB PRO A 48 36.941 66.529 -23.235 1.00 72.10 C ATOM 693 CG PRO A 48 37.305 67.972 -23.251 1.00 2.42 C ATOM 694 CD PRO A 48 38.121 68.201 -22.014 1.00 3.12 C ATOM 0 HA PRO A 48 35.832 66.041 -21.393 1.00 21.13 H new ATOM 0 HB2 PRO A 48 37.690 65.929 -23.752 1.00 72.10 H new ATOM 0 HB3 PRO A 48 35.990 66.357 -23.740 1.00 72.10 H new ATOM 0 HG2 PRO A 48 37.874 68.222 -24.147 1.00 2.42 H new ATOM 0 HG3 PRO A 48 36.414 68.600 -23.254 1.00 2.42 H new ATOM 0 HD2 PRO A 48 39.181 68.018 -22.189 1.00 3.12 H new ATOM 0 HD3 PRO A 48 38.030 69.226 -21.654 1.00 3.12 H new ATOM 702 N SER A 49 36.959 64.049 -20.559 1.00 1.52 N ATOM 703 CA SER A 49 37.413 62.693 -20.303 1.00 71.45 C ATOM 704 C SER A 49 36.283 61.704 -20.585 1.00 5.40 C ATOM 705 O SER A 49 36.243 61.082 -21.645 1.00 55.33 O ATOM 706 CB SER A 49 37.901 62.567 -18.860 1.00 4.01 C ATOM 707 OG SER A 49 38.835 63.587 -18.550 1.00 52.25 O ATOM 0 H SER A 49 36.194 64.359 -19.960 1.00 1.52 H new ATOM 0 HA SER A 49 38.246 62.461 -20.966 1.00 71.45 H new ATOM 0 HB2 SER A 49 37.052 62.626 -18.179 1.00 4.01 H new ATOM 0 HB3 SER A 49 38.361 61.590 -18.712 1.00 4.01 H new ATOM 0 HG SER A 49 39.132 63.487 -17.621 1.00 52.25 H new ATOM 713 N ALA A 50 35.338 61.599 -19.656 1.00 4.34 N ATOM 714 CA ALA A 50 34.194 60.715 -19.836 1.00 71.23 C ATOM 715 C ALA A 50 33.247 61.282 -20.885 1.00 52.43 C ATOM 716 O ALA A 50 32.724 60.555 -21.730 1.00 63.35 O ATOM 717 CB ALA A 50 33.471 60.521 -18.513 1.00 52.42 C ATOM 0 H ALA A 50 35.342 62.113 -18.775 1.00 4.34 H new ATOM 0 HA ALA A 50 34.550 59.745 -20.183 1.00 71.23 H new ATOM 0 HB1 ALA A 50 32.618 59.859 -18.658 1.00 52.42 H new ATOM 0 HB2 ALA A 50 34.153 60.079 -17.787 1.00 52.42 H new ATOM 0 HB3 ALA A 50 33.123 61.486 -18.144 1.00 52.42 H new ATOM 723 N LEU A 51 33.045 62.592 -20.832 1.00 14.24 N ATOM 724 CA LEU A 51 32.171 63.274 -21.781 1.00 65.24 C ATOM 725 C LEU A 51 32.828 63.385 -23.157 1.00 54.11 C ATOM 726 O LEU A 51 32.149 63.609 -24.158 1.00 73.42 O ATOM 727 CB LEU A 51 31.797 64.676 -21.279 1.00 34.13 C ATOM 728 CG LEU A 51 32.941 65.701 -21.232 1.00 14.14 C ATOM 729 CD1 LEU A 51 32.384 67.112 -21.268 1.00 42.24 C ATOM 730 CD2 LEU A 51 33.794 65.521 -19.983 1.00 32.32 C ATOM 0 H LEU A 51 33.475 63.206 -20.140 1.00 14.24 H new ATOM 0 HA LEU A 51 31.264 62.675 -21.870 1.00 65.24 H new ATOM 0 HB2 LEU A 51 31.008 65.071 -21.919 1.00 34.13 H new ATOM 0 HB3 LEU A 51 31.378 64.582 -20.277 1.00 34.13 H new ATOM 0 HG LEU A 51 33.571 65.536 -22.106 1.00 14.14 H new ATOM 0 HD11 LEU A 51 33.205 67.828 -21.234 1.00 42.24 H new ATOM 0 HD12 LEU A 51 31.815 67.255 -22.187 1.00 42.24 H new ATOM 0 HD13 LEU A 51 31.731 67.267 -20.409 1.00 42.24 H new ATOM 0 HD21 LEU A 51 34.594 66.261 -19.979 1.00 32.32 H new ATOM 0 HD22 LEU A 51 33.174 65.653 -19.097 1.00 32.32 H new ATOM 0 HD23 LEU A 51 34.225 64.520 -19.978 1.00 32.32 H new ATOM 742 N ASP A 52 34.145 63.215 -23.201 1.00 2.23 N ATOM 743 CA ASP A 52 34.906 63.373 -24.443 1.00 12.25 C ATOM 744 C ASP A 52 34.450 62.375 -25.494 1.00 34.31 C ATOM 745 O ASP A 52 34.075 62.754 -26.602 1.00 33.15 O ATOM 746 CB ASP A 52 36.398 63.188 -24.182 1.00 5.20 C ATOM 747 CG ASP A 52 37.223 63.275 -25.450 1.00 62.52 C ATOM 748 OD1 ASP A 52 37.291 64.370 -26.045 1.00 12.41 O ATOM 749 OD2 ASP A 52 37.815 62.255 -25.848 1.00 63.02 O1- ATOM 0 H ASP A 52 34.712 62.967 -22.390 1.00 2.23 H new ATOM 0 HA ASP A 52 34.726 64.381 -24.815 1.00 12.25 H new ATOM 0 HB2 ASP A 52 36.738 63.948 -23.478 1.00 5.20 H new ATOM 0 HB3 ASP A 52 36.564 62.220 -23.710 1.00 5.20 H new ATOM 754 N ASN A 53 34.451 61.102 -25.123 1.00 61.25 N ATOM 755 CA ASN A 53 34.066 60.031 -26.037 1.00 42.12 C ATOM 756 C ASN A 53 32.547 59.959 -26.187 1.00 63.01 C ATOM 757 O ASN A 53 31.998 58.928 -26.571 1.00 23.25 O ATOM 758 CB ASN A 53 34.601 58.683 -25.535 1.00 44.53 C ATOM 759 CG ASN A 53 36.112 58.664 -25.363 1.00 73.01 C ATOM 760 OD1 ASN A 53 36.823 59.427 -26.177 1.00 72.42 O flip ATOM 761 ND2 ASN A 53 36.635 57.960 -24.502 1.00 31.23 N flip ATOM 0 H ASN A 53 34.715 60.783 -24.191 1.00 61.25 H new ATOM 0 HA ASN A 53 34.501 60.250 -27.012 1.00 42.12 H new ATOM 0 HB2 ASN A 53 34.130 58.445 -24.581 1.00 44.53 H new ATOM 0 HB3 ASN A 53 34.312 57.901 -26.237 1.00 44.53 H new ATOM 0 HD21 ASN A 53 36.054 57.384 -23.892 1.00 31.23 H new ATOM 0 HD22 ASN A 53 37.650 57.951 -24.397 1.00 31.23 H new ATOM 768 N PHE A 54 31.875 61.063 -25.896 1.00 22.14 N ATOM 769 CA PHE A 54 30.427 61.120 -25.964 1.00 43.23 C ATOM 770 C PHE A 54 29.970 62.368 -26.715 1.00 0.30 C ATOM 771 O PHE A 54 29.421 62.276 -27.813 1.00 51.31 O ATOM 772 CB PHE A 54 29.843 61.100 -24.547 1.00 64.13 C ATOM 773 CG PHE A 54 28.342 61.117 -24.501 1.00 32.43 C ATOM 774 CD1 PHE A 54 27.663 62.196 -23.956 1.00 20.25 C ATOM 775 CD2 PHE A 54 27.610 60.055 -25.003 1.00 52.44 C ATOM 776 CE1 PHE A 54 26.283 62.213 -23.914 1.00 74.25 C ATOM 777 CE2 PHE A 54 26.230 60.066 -24.964 1.00 41.13 C ATOM 778 CZ PHE A 54 25.566 61.146 -24.419 1.00 1.54 C ATOM 0 H PHE A 54 32.316 61.937 -25.609 1.00 22.14 H new ATOM 0 HA PHE A 54 30.065 60.249 -26.510 1.00 43.23 H new ATOM 0 HB2 PHE A 54 30.201 60.209 -24.031 1.00 64.13 H new ATOM 0 HB3 PHE A 54 30.222 61.961 -23.997 1.00 64.13 H new ATOM 0 HD1 PHE A 54 28.220 63.032 -23.560 1.00 20.25 H new ATOM 0 HD2 PHE A 54 28.125 59.207 -25.431 1.00 52.44 H new ATOM 0 HE1 PHE A 54 25.765 63.059 -23.487 1.00 74.25 H new ATOM 0 HE2 PHE A 54 25.671 59.231 -25.359 1.00 41.13 H new ATOM 0 HZ PHE A 54 24.487 61.157 -24.387 1.00 1.54 H new ATOM 788 N THR A 55 30.234 63.538 -26.138 1.00 75.41 N ATOM 789 CA THR A 55 29.722 64.792 -26.682 1.00 62.12 C ATOM 790 C THR A 55 30.401 65.152 -28.003 1.00 21.25 C ATOM 791 O THR A 55 29.827 65.858 -28.832 1.00 1.24 O ATOM 792 CB THR A 55 29.879 65.958 -25.677 1.00 4.21 C ATOM 793 OG1 THR A 55 29.118 67.086 -26.117 1.00 21.43 O ATOM 794 CG2 THR A 55 31.337 66.362 -25.507 1.00 4.31 C ATOM 0 H THR A 55 30.799 63.643 -25.295 1.00 75.41 H new ATOM 0 HA THR A 55 28.659 64.638 -26.869 1.00 62.12 H new ATOM 0 HB THR A 55 29.509 65.615 -24.711 1.00 4.21 H new ATOM 0 HG1 THR A 55 29.220 67.820 -25.476 1.00 21.43 H new ATOM 0 HG21 THR A 55 31.406 67.183 -24.794 1.00 4.31 H new ATOM 0 HG22 THR A 55 31.910 65.511 -25.137 1.00 4.31 H new ATOM 0 HG23 THR A 55 31.741 66.681 -26.468 1.00 4.31 H new ATOM 802 N GLN A 56 31.604 64.630 -28.213 1.00 32.54 N ATOM 803 CA GLN A 56 32.349 64.905 -29.437 1.00 40.22 C ATOM 804 C GLN A 56 31.656 64.268 -30.633 1.00 42.31 C ATOM 805 O GLN A 56 31.708 64.789 -31.747 1.00 33.50 O ATOM 806 CB GLN A 56 33.793 64.404 -29.321 1.00 24.31 C ATOM 807 CG GLN A 56 34.815 65.515 -29.097 1.00 3.12 C ATOM 808 CD GLN A 56 34.520 66.360 -27.869 1.00 23.51 C ATOM 809 OE1 GLN A 56 33.799 67.352 -27.945 1.00 22.43 O ATOM 810 NE2 GLN A 56 35.094 65.997 -26.734 1.00 51.20 N ATOM 0 H GLN A 56 32.083 64.016 -27.554 1.00 32.54 H new ATOM 0 HA GLN A 56 32.377 65.984 -29.586 1.00 40.22 H new ATOM 0 HB2 GLN A 56 33.856 63.694 -28.497 1.00 24.31 H new ATOM 0 HB3 GLN A 56 34.053 63.861 -30.230 1.00 24.31 H new ATOM 0 HG2 GLN A 56 35.806 65.073 -28.997 1.00 3.12 H new ATOM 0 HG3 GLN A 56 34.841 66.159 -29.976 1.00 3.12 H new ATOM 0 HE21 GLN A 56 35.687 65.168 -26.705 1.00 51.20 H new ATOM 0 HE22 GLN A 56 34.944 66.546 -25.888 1.00 51.20 H new ATOM 819 N ALA A 57 30.979 63.154 -30.389 1.00 43.12 N ATOM 820 CA ALA A 57 30.227 62.477 -31.433 1.00 74.22 C ATOM 821 C ALA A 57 28.882 63.159 -31.638 1.00 13.44 C ATOM 822 O ALA A 57 28.305 63.113 -32.723 1.00 44.41 O ATOM 823 CB ALA A 57 30.030 61.010 -31.087 1.00 32.32 C ATOM 0 H ALA A 57 30.936 62.701 -29.476 1.00 43.12 H new ATOM 0 HA ALA A 57 30.795 62.536 -32.361 1.00 74.22 H new ATOM 0 HB1 ALA A 57 29.465 60.522 -31.881 1.00 32.32 H new ATOM 0 HB2 ALA A 57 31.002 60.527 -30.983 1.00 32.32 H new ATOM 0 HB3 ALA A 57 29.482 60.928 -30.148 1.00 32.32 H new ATOM 829 N ILE A 58 28.392 63.806 -30.584 1.00 52.41 N ATOM 830 CA ILE A 58 27.124 64.521 -30.646 1.00 43.42 C ATOM 831 C ILE A 58 27.258 65.761 -31.521 1.00 42.32 C ATOM 832 O ILE A 58 26.343 66.121 -32.256 1.00 2.22 O ATOM 833 CB ILE A 58 26.636 64.938 -29.242 1.00 4.31 C ATOM 834 CG1 ILE A 58 26.644 63.729 -28.302 1.00 33.32 C ATOM 835 CG2 ILE A 58 25.241 65.555 -29.316 1.00 22.11 C ATOM 836 CD1 ILE A 58 25.959 63.979 -26.977 1.00 75.03 C ATOM 0 H ILE A 58 28.856 63.849 -29.676 1.00 52.41 H new ATOM 0 HA ILE A 58 26.389 63.842 -31.078 1.00 43.42 H new ATOM 0 HB ILE A 58 27.317 65.692 -28.846 1.00 4.31 H new ATOM 0 HG12 ILE A 58 26.156 62.891 -28.800 1.00 33.32 H new ATOM 0 HG13 ILE A 58 27.676 63.432 -28.116 1.00 33.32 H new ATOM 0 HG21 ILE A 58 24.916 65.842 -28.316 1.00 22.11 H new ATOM 0 HG22 ILE A 58 25.267 66.437 -29.956 1.00 22.11 H new ATOM 0 HG23 ILE A 58 24.543 64.827 -29.729 1.00 22.11 H new ATOM 0 HD11 ILE A 58 26.006 63.077 -26.367 1.00 75.03 H new ATOM 0 HD12 ILE A 58 26.460 64.795 -26.457 1.00 75.03 H new ATOM 0 HD13 ILE A 58 24.916 64.245 -27.151 1.00 75.03 H new ATOM 848 N GLN A 59 28.413 66.400 -31.450 1.00 20.32 N ATOM 849 CA GLN A 59 28.682 67.575 -32.266 1.00 43.14 C ATOM 850 C GLN A 59 28.768 67.188 -33.741 1.00 30.01 C ATOM 851 O GLN A 59 28.385 67.959 -34.623 1.00 22.32 O ATOM 852 CB GLN A 59 29.969 68.245 -31.790 1.00 0.24 C ATOM 853 CG GLN A 59 29.895 68.676 -30.332 1.00 33.03 C ATOM 854 CD GLN A 59 31.231 69.101 -29.766 1.00 32.54 C ATOM 855 OE1 GLN A 59 32.083 69.632 -30.475 1.00 24.13 O ATOM 856 NE2 GLN A 59 31.430 68.853 -28.481 1.00 51.23 N ATOM 0 H GLN A 59 29.180 66.126 -30.836 1.00 20.32 H new ATOM 0 HA GLN A 59 27.864 68.287 -32.159 1.00 43.14 H new ATOM 0 HB2 GLN A 59 30.804 67.556 -31.920 1.00 0.24 H new ATOM 0 HB3 GLN A 59 30.174 69.115 -32.413 1.00 0.24 H new ATOM 0 HG2 GLN A 59 29.190 69.502 -30.240 1.00 33.03 H new ATOM 0 HG3 GLN A 59 29.501 67.852 -29.736 1.00 33.03 H new ATOM 0 HE21 GLN A 59 30.696 68.410 -27.927 1.00 51.23 H new ATOM 0 HE22 GLN A 59 32.317 69.105 -28.044 1.00 51.23 H new ATOM 865 N SER A 60 29.245 65.978 -33.996 1.00 51.04 N ATOM 866 CA SER A 60 29.304 65.451 -35.349 1.00 11.41 C ATOM 867 C SER A 60 27.899 65.192 -35.883 1.00 54.31 C ATOM 868 O SER A 60 27.597 65.476 -37.043 1.00 71.15 O ATOM 869 CB SER A 60 30.109 64.153 -35.366 1.00 73.34 C ATOM 870 OG SER A 60 31.319 64.302 -34.648 1.00 3.51 O ATOM 0 H SER A 60 29.597 65.342 -33.280 1.00 51.04 H new ATOM 0 HA SER A 60 29.791 66.188 -35.988 1.00 11.41 H new ATOM 0 HB2 SER A 60 29.518 63.348 -34.929 1.00 73.34 H new ATOM 0 HB3 SER A 60 30.325 63.867 -36.396 1.00 73.34 H new ATOM 0 HG SER A 60 31.132 64.294 -33.686 1.00 3.51 H new ATOM 876 N GLN A 61 27.031 64.680 -35.015 1.00 30.10 N ATOM 877 CA GLN A 61 25.680 64.308 -35.408 1.00 24.42 C ATOM 878 C GLN A 61 24.748 65.522 -35.403 1.00 14.32 C ATOM 879 O GLN A 61 23.528 65.386 -35.466 1.00 1.12 O ATOM 880 CB GLN A 61 25.142 63.207 -34.485 1.00 64.21 C ATOM 881 CG GLN A 61 24.859 63.669 -33.066 1.00 32.32 C ATOM 882 CD GLN A 61 24.567 62.526 -32.108 1.00 64.01 C ATOM 883 OE1 GLN A 61 25.195 61.379 -32.329 1.00 52.54 O flip ATOM 884 NE2 GLN A 61 23.800 62.682 -31.159 1.00 61.52 N flip ATOM 0 H GLN A 61 27.243 64.514 -34.031 1.00 30.10 H new ATOM 0 HA GLN A 61 25.716 63.922 -36.427 1.00 24.42 H new ATOM 0 HB2 GLN A 61 24.224 62.805 -34.914 1.00 64.21 H new ATOM 0 HB3 GLN A 61 25.864 62.391 -34.453 1.00 64.21 H new ATOM 0 HG2 GLN A 61 25.716 64.233 -32.697 1.00 32.32 H new ATOM 0 HG3 GLN A 61 24.009 64.351 -33.076 1.00 32.32 H new ATOM 0 HE21 GLN A 61 23.335 63.579 -31.021 1.00 61.52 H new ATOM 0 HE22 GLN A 61 23.629 61.914 -30.510 1.00 61.52 H new ATOM 893 N ILE A 62 25.330 66.711 -35.325 1.00 25.21 N ATOM 894 CA ILE A 62 24.565 67.939 -35.468 1.00 60.23 C ATOM 895 C ILE A 62 24.501 68.336 -36.937 1.00 4.22 C ATOM 896 O ILE A 62 23.421 68.419 -37.519 1.00 73.53 O ATOM 897 CB ILE A 62 25.171 69.101 -34.644 1.00 31.41 C ATOM 898 CG1 ILE A 62 25.077 68.798 -33.149 1.00 75.12 C ATOM 899 CG2 ILE A 62 24.461 70.412 -34.965 1.00 11.33 C ATOM 900 CD1 ILE A 62 25.706 69.860 -32.273 1.00 54.33 C ATOM 0 H ILE A 62 26.328 66.850 -35.164 1.00 25.21 H new ATOM 0 HA ILE A 62 23.562 67.748 -35.086 1.00 60.23 H new ATOM 0 HB ILE A 62 26.222 69.203 -34.913 1.00 31.41 H new ATOM 0 HG12 ILE A 62 24.028 68.688 -32.875 1.00 75.12 H new ATOM 0 HG13 ILE A 62 25.561 67.842 -32.950 1.00 75.12 H new ATOM 0 HG21 ILE A 62 24.900 71.217 -34.376 1.00 11.33 H new ATOM 0 HG22 ILE A 62 24.572 70.636 -36.026 1.00 11.33 H new ATOM 0 HG23 ILE A 62 23.402 70.321 -34.722 1.00 11.33 H new ATOM 0 HD11 ILE A 62 25.601 69.577 -31.226 1.00 54.33 H new ATOM 0 HD12 ILE A 62 26.764 69.955 -32.519 1.00 54.33 H new ATOM 0 HD13 ILE A 62 25.207 70.814 -32.443 1.00 54.33 H new ATOM 912 N LEU A 63 25.672 68.530 -37.535 1.00 64.35 N ATOM 913 CA LEU A 63 25.775 68.997 -38.915 1.00 53.53 C ATOM 914 C LEU A 63 25.054 68.056 -39.876 1.00 34.31 C ATOM 915 O LEU A 63 24.086 68.442 -40.529 1.00 74.53 O ATOM 916 CB LEU A 63 27.246 69.128 -39.316 1.00 24.15 C ATOM 917 CG LEU A 63 28.069 70.098 -38.463 1.00 14.34 C ATOM 918 CD1 LEU A 63 29.525 70.085 -38.896 1.00 52.54 C ATOM 919 CD2 LEU A 63 27.502 71.510 -38.556 1.00 61.01 C ATOM 0 H LEU A 63 26.571 68.370 -37.081 1.00 64.35 H new ATOM 0 HA LEU A 63 25.295 69.974 -38.976 1.00 53.53 H new ATOM 0 HB2 LEU A 63 27.709 68.142 -39.266 1.00 24.15 H new ATOM 0 HB3 LEU A 63 27.295 69.451 -40.356 1.00 24.15 H new ATOM 0 HG LEU A 63 28.012 69.771 -37.425 1.00 14.34 H new ATOM 0 HD11 LEU A 63 30.094 70.780 -38.279 1.00 52.54 H new ATOM 0 HD12 LEU A 63 29.930 69.080 -38.779 1.00 52.54 H new ATOM 0 HD13 LEU A 63 29.596 70.386 -39.941 1.00 52.54 H new ATOM 0 HD21 LEU A 63 28.101 72.184 -37.943 1.00 61.01 H new ATOM 0 HD22 LEU A 63 27.527 71.844 -39.593 1.00 61.01 H new ATOM 0 HD23 LEU A 63 26.472 71.513 -38.198 1.00 61.01 H new ATOM 931 N GLY A 64 25.515 66.815 -39.944 1.00 54.14 N ATOM 932 CA GLY A 64 24.896 65.850 -40.831 1.00 43.53 C ATOM 933 C GLY A 64 23.800 65.059 -40.144 1.00 42.50 C ATOM 934 O GLY A 64 23.215 64.150 -40.734 1.00 45.41 O ATOM 0 H GLY A 64 26.304 66.460 -39.403 1.00 54.14 H new ATOM 0 HA2 GLY A 64 24.480 66.368 -41.695 1.00 43.53 H new ATOM 0 HA3 GLY A 64 25.656 65.164 -41.206 1.00 43.53 H new ATOM 938 N GLY A 65 23.516 65.404 -38.897 1.00 25.24 N ATOM 939 CA GLY A 65 22.507 64.688 -38.141 1.00 5.50 C ATOM 940 C GLY A 65 21.147 65.347 -38.226 1.00 33.53 C ATOM 941 O GLY A 65 20.132 64.666 -38.380 1.00 11.34 O ATOM 0 H GLY A 65 23.967 66.168 -38.394 1.00 25.24 H new ATOM 0 HA2 GLY A 65 22.436 63.666 -38.512 1.00 5.50 H new ATOM 0 HA3 GLY A 65 22.814 64.628 -37.097 1.00 5.50 H new ATOM 945 N LEU A 66 21.123 66.676 -38.144 1.00 53.33 N ATOM 946 CA LEU A 66 19.876 67.428 -38.251 1.00 72.23 C ATOM 947 C LEU A 66 19.221 67.184 -39.606 1.00 34.12 C ATOM 948 O LEU A 66 18.005 67.302 -39.754 1.00 33.03 O ATOM 949 CB LEU A 66 20.125 68.929 -38.055 1.00 31.31 C ATOM 950 CG LEU A 66 20.598 69.338 -36.658 1.00 64.21 C ATOM 951 CD1 LEU A 66 20.818 70.841 -36.594 1.00 22.03 C ATOM 952 CD2 LEU A 66 19.594 68.903 -35.604 1.00 65.03 C ATOM 0 H LEU A 66 21.952 67.253 -38.004 1.00 53.33 H new ATOM 0 HA LEU A 66 19.205 67.081 -37.465 1.00 72.23 H new ATOM 0 HB2 LEU A 66 20.869 69.255 -38.782 1.00 31.31 H new ATOM 0 HB3 LEU A 66 19.203 69.466 -38.280 1.00 31.31 H new ATOM 0 HG LEU A 66 21.545 68.839 -36.455 1.00 64.21 H new ATOM 0 HD11 LEU A 66 21.154 71.117 -35.595 1.00 22.03 H new ATOM 0 HD12 LEU A 66 21.574 71.129 -37.324 1.00 22.03 H new ATOM 0 HD13 LEU A 66 19.883 71.355 -36.818 1.00 22.03 H new ATOM 0 HD21 LEU A 66 19.949 69.203 -34.618 1.00 65.03 H new ATOM 0 HD22 LEU A 66 18.631 69.374 -35.802 1.00 65.03 H new ATOM 0 HD23 LEU A 66 19.481 67.819 -35.635 1.00 65.03 H new ATOM 964 N LEU A 67 20.042 66.825 -40.585 1.00 53.21 N ATOM 965 CA LEU A 67 19.560 66.517 -41.923 1.00 64.45 C ATOM 966 C LEU A 67 18.640 65.295 -41.898 1.00 60.43 C ATOM 967 O LEU A 67 17.587 65.284 -42.537 1.00 44.24 O ATOM 968 CB LEU A 67 20.746 66.270 -42.858 1.00 51.43 C ATOM 969 CG LEU A 67 21.750 67.422 -42.957 1.00 3.00 C ATOM 970 CD1 LEU A 67 22.919 67.035 -43.846 1.00 70.32 C ATOM 971 CD2 LEU A 67 21.073 68.677 -43.485 1.00 22.21 C ATOM 0 H LEU A 67 21.052 66.740 -40.474 1.00 53.21 H new ATOM 0 HA LEU A 67 18.986 67.367 -42.292 1.00 64.45 H new ATOM 0 HB2 LEU A 67 21.274 65.378 -42.521 1.00 51.43 H new ATOM 0 HB3 LEU A 67 20.363 66.056 -43.856 1.00 51.43 H new ATOM 0 HG LEU A 67 22.131 67.631 -41.958 1.00 3.00 H new ATOM 0 HD11 LEU A 67 23.622 67.866 -43.905 1.00 70.32 H new ATOM 0 HD12 LEU A 67 23.422 66.163 -43.427 1.00 70.32 H new ATOM 0 HD13 LEU A 67 22.553 66.798 -44.845 1.00 70.32 H new ATOM 0 HD21 LEU A 67 21.802 69.485 -43.548 1.00 22.21 H new ATOM 0 HD22 LEU A 67 20.663 68.480 -44.475 1.00 22.21 H new ATOM 0 HD23 LEU A 67 20.268 68.967 -42.810 1.00 22.21 H new ATOM 983 N SER A 68 19.029 64.278 -41.135 1.00 40.32 N ATOM 984 CA SER A 68 18.234 63.062 -41.008 1.00 11.31 C ATOM 985 C SER A 68 16.939 63.349 -40.247 1.00 75.02 C ATOM 986 O SER A 68 15.908 62.716 -40.484 1.00 75.11 O ATOM 987 CB SER A 68 19.047 61.990 -40.282 1.00 0.14 C ATOM 988 OG SER A 68 20.316 61.821 -40.893 1.00 4.11 O ATOM 0 H SER A 68 19.893 64.273 -40.594 1.00 40.32 H new ATOM 0 HA SER A 68 17.975 62.702 -42.004 1.00 11.31 H new ATOM 0 HB2 SER A 68 19.176 62.271 -39.237 1.00 0.14 H new ATOM 0 HB3 SER A 68 18.504 61.045 -40.294 1.00 0.14 H new ATOM 0 HG SER A 68 20.821 61.132 -40.413 1.00 4.11 H new ATOM 994 N ASN A 69 16.998 64.329 -39.351 1.00 22.22 N ATOM 995 CA ASN A 69 15.829 64.744 -38.577 1.00 3.21 C ATOM 996 C ASN A 69 14.776 65.370 -39.488 1.00 33.23 C ATOM 997 O ASN A 69 13.585 65.358 -39.183 1.00 41.32 O ATOM 998 CB ASN A 69 16.248 65.736 -37.482 1.00 53.44 C ATOM 999 CG ASN A 69 15.070 66.316 -36.715 1.00 25.14 C ATOM 1000 OD1 ASN A 69 14.618 65.744 -35.722 1.00 41.35 O ATOM 1001 ND2 ASN A 69 14.576 67.465 -37.163 1.00 2.13 N ATOM 0 H ASN A 69 17.847 64.854 -39.141 1.00 22.22 H new ATOM 0 HA ASN A 69 15.393 63.863 -38.106 1.00 3.21 H new ATOM 0 HB2 ASN A 69 16.917 65.234 -36.783 1.00 53.44 H new ATOM 0 HB3 ASN A 69 16.814 66.550 -37.935 1.00 53.44 H new ATOM 0 HD21 ASN A 69 13.793 67.906 -36.681 1.00 2.13 H new ATOM 0 HD22 ASN A 69 14.980 67.906 -37.989 1.00 2.13 H new ATOM 1008 N ILE A 70 15.223 65.910 -40.614 1.00 71.41 N ATOM 1009 CA ILE A 70 14.319 66.508 -41.586 1.00 54.25 C ATOM 1010 C ILE A 70 13.602 65.420 -42.383 1.00 15.54 C ATOM 1011 O ILE A 70 12.446 65.581 -42.782 1.00 23.53 O ATOM 1012 CB ILE A 70 15.076 67.450 -42.553 1.00 3.10 C ATOM 1013 CG1 ILE A 70 15.799 68.554 -41.771 1.00 23.53 C ATOM 1014 CG2 ILE A 70 14.129 68.063 -43.576 1.00 12.32 C ATOM 1015 CD1 ILE A 70 14.881 69.403 -40.912 1.00 42.43 C ATOM 0 H ILE A 70 16.208 65.946 -40.877 1.00 71.41 H new ATOM 0 HA ILE A 70 13.585 67.098 -41.037 1.00 54.25 H new ATOM 0 HB ILE A 70 15.816 66.856 -43.089 1.00 3.10 H new ATOM 0 HG12 ILE A 70 16.557 68.097 -41.134 1.00 23.53 H new ATOM 0 HG13 ILE A 70 16.322 69.201 -42.475 1.00 23.53 H new ATOM 0 HG21 ILE A 70 14.688 68.720 -44.242 1.00 12.32 H new ATOM 0 HG22 ILE A 70 13.660 67.270 -44.159 1.00 12.32 H new ATOM 0 HG23 ILE A 70 13.360 68.638 -43.061 1.00 12.32 H new ATOM 0 HD11 ILE A 70 15.467 70.160 -40.391 1.00 42.43 H new ATOM 0 HD12 ILE A 70 14.139 69.890 -41.544 1.00 42.43 H new ATOM 0 HD13 ILE A 70 14.377 68.770 -40.182 1.00 42.43 H new ATOM 1027 N ASN A 71 14.283 64.303 -42.588 1.00 10.14 N ATOM 1028 CA ASN A 71 13.731 63.202 -43.365 1.00 44.34 C ATOM 1029 C ASN A 71 12.765 62.367 -42.533 1.00 55.34 C ATOM 1030 O ASN A 71 11.674 62.039 -42.995 1.00 20.43 O ATOM 1031 CB ASN A 71 14.850 62.308 -43.911 1.00 33.10 C ATOM 1032 CG ASN A 71 15.607 62.937 -45.068 1.00 24.15 C ATOM 1033 OD1 ASN A 71 15.744 64.159 -45.157 1.00 2.11 O ATOM 1034 ND2 ASN A 71 16.100 62.100 -45.967 1.00 61.43 N ATOM 0 H ASN A 71 15.222 64.134 -42.226 1.00 10.14 H new ATOM 0 HA ASN A 71 13.182 63.635 -44.201 1.00 44.34 H new ATOM 0 HB2 ASN A 71 15.550 62.082 -43.107 1.00 33.10 H new ATOM 0 HB3 ASN A 71 14.422 61.360 -44.237 1.00 33.10 H new ATOM 0 HD21 ASN A 71 16.615 62.460 -46.770 1.00 61.43 H new ATOM 0 HD22 ASN A 71 15.965 61.095 -45.857 1.00 61.43 H new ATOM 1041 N THR A 72 13.179 62.045 -41.303 1.00 12.11 N ATOM 1042 CA THR A 72 12.429 61.168 -40.386 1.00 23.30 C ATOM 1043 C THR A 72 12.165 59.792 -41.004 1.00 44.31 C ATOM 1044 O THR A 72 12.561 59.516 -42.137 1.00 44.23 O ATOM 1045 CB THR A 72 11.089 61.787 -39.895 1.00 2.13 C ATOM 1046 OG1 THR A 72 10.167 61.973 -40.978 1.00 14.23 O ATOM 1047 CG2 THR A 72 11.335 63.114 -39.199 1.00 53.31 C ATOM 0 H THR A 72 14.054 62.388 -40.908 1.00 12.11 H new ATOM 0 HA THR A 72 13.073 61.052 -39.514 1.00 23.30 H new ATOM 0 HB THR A 72 10.648 61.086 -39.186 1.00 2.13 H new ATOM 0 HG1 THR A 72 10.561 61.627 -41.806 1.00 14.23 H new ATOM 0 HG21 THR A 72 10.385 63.530 -38.863 1.00 53.31 H new ATOM 0 HG22 THR A 72 11.987 62.959 -38.340 1.00 53.31 H new ATOM 0 HG23 THR A 72 11.809 63.807 -39.894 1.00 53.31 H new ATOM 1055 N GLY A 73 11.520 58.919 -40.233 1.00 3.13 N ATOM 1056 CA GLY A 73 11.227 57.579 -40.707 1.00 42.41 C ATOM 1057 C GLY A 73 12.482 56.746 -40.847 1.00 24.53 C ATOM 1058 O GLY A 73 12.523 55.786 -41.616 1.00 71.02 O ATOM 0 H GLY A 73 11.195 59.118 -39.287 1.00 3.13 H new ATOM 0 HA2 GLY A 73 10.542 57.090 -40.015 1.00 42.41 H new ATOM 0 HA3 GLY A 73 10.720 57.637 -41.670 1.00 42.41 H new ATOM 1062 N LYS A 74 13.511 57.141 -40.107 1.00 31.51 N ATOM 1063 CA LYS A 74 14.810 56.486 -40.158 1.00 51.44 C ATOM 1064 C LYS A 74 14.715 54.990 -39.846 1.00 44.43 C ATOM 1065 O LYS A 74 13.925 54.568 -38.998 1.00 24.01 O ATOM 1066 CB LYS A 74 15.784 57.194 -39.197 1.00 23.21 C ATOM 1067 CG LYS A 74 15.249 57.393 -37.780 1.00 4.23 C ATOM 1068 CD LYS A 74 15.545 56.202 -36.879 1.00 20.20 C ATOM 1069 CE LYS A 74 14.880 56.348 -35.518 1.00 35.24 C ATOM 1070 NZ LYS A 74 15.349 57.554 -34.783 1.00 22.45 N1+ ATOM 0 H LYS A 74 13.467 57.924 -39.455 1.00 31.51 H new ATOM 0 HA LYS A 74 15.190 56.566 -41.176 1.00 51.44 H new ATOM 0 HB2 LYS A 74 16.706 56.616 -39.145 1.00 23.21 H new ATOM 0 HB3 LYS A 74 16.041 58.168 -39.614 1.00 23.21 H new ATOM 0 HG2 LYS A 74 15.692 58.291 -37.349 1.00 4.23 H new ATOM 0 HG3 LYS A 74 14.172 57.557 -37.820 1.00 4.23 H new ATOM 0 HD2 LYS A 74 15.196 55.287 -37.358 1.00 20.20 H new ATOM 0 HD3 LYS A 74 16.623 56.103 -36.749 1.00 20.20 H new ATOM 0 HE2 LYS A 74 13.799 56.403 -35.649 1.00 35.24 H new ATOM 0 HE3 LYS A 74 15.084 55.460 -34.920 1.00 35.24 H new ATOM 0 HZ1 LYS A 74 14.946 57.555 -33.824 1.00 22.45 H new ATOM 0 HZ2 LYS A 74 16.387 57.541 -34.722 1.00 22.45 H new ATOM 0 HZ3 LYS A 74 15.042 58.410 -35.288 1.00 22.45 H new ATOM 1084 N PRO A 75 15.520 54.172 -40.543 1.00 62.34 N ATOM 1085 CA PRO A 75 15.652 52.748 -40.270 1.00 2.31 C ATOM 1086 C PRO A 75 16.773 52.486 -39.267 1.00 25.45 C ATOM 1087 O PRO A 75 17.238 53.413 -38.598 1.00 34.43 O ATOM 1088 CB PRO A 75 16.000 52.158 -41.647 1.00 60.25 C ATOM 1089 CG PRO A 75 16.331 53.320 -42.540 1.00 23.21 C ATOM 1090 CD PRO A 75 16.353 54.554 -41.679 1.00 65.03 C ATOM 0 HA PRO A 75 14.755 52.312 -39.831 1.00 2.31 H new ATOM 0 HB2 PRO A 75 16.845 51.473 -41.573 1.00 60.25 H new ATOM 0 HB3 PRO A 75 15.162 51.588 -42.047 1.00 60.25 H new ATOM 0 HG2 PRO A 75 17.297 53.171 -43.023 1.00 23.21 H new ATOM 0 HG3 PRO A 75 15.590 53.418 -43.333 1.00 23.21 H new ATOM 0 HD2 PRO A 75 17.365 54.813 -41.369 1.00 65.03 H new ATOM 0 HD3 PRO A 75 15.949 55.420 -42.203 1.00 65.03 H new ATOM 1098 N GLY A 76 17.212 51.241 -39.157 1.00 12.10 N ATOM 1099 CA GLY A 76 18.318 50.955 -38.272 1.00 14.01 C ATOM 1100 C GLY A 76 18.662 49.485 -38.178 1.00 13.34 C ATOM 1101 O GLY A 76 18.931 48.830 -39.187 1.00 72.12 O ATOM 0 H GLY A 76 16.829 50.438 -39.656 1.00 12.10 H new ATOM 0 HA2 GLY A 76 19.196 51.503 -38.615 1.00 14.01 H new ATOM 0 HA3 GLY A 76 18.079 51.327 -37.276 1.00 14.01 H new ATOM 1105 N ARG A 77 18.637 48.983 -36.951 1.00 2.44 N ATOM 1106 CA ARG A 77 19.106 47.641 -36.620 1.00 13.33 C ATOM 1107 C ARG A 77 18.362 46.533 -37.361 1.00 22.11 C ATOM 1108 O ARG A 77 17.131 46.489 -37.387 1.00 0.25 O ATOM 1109 CB ARG A 77 18.979 47.411 -35.111 1.00 21.41 C ATOM 1110 CG ARG A 77 17.591 47.720 -34.571 1.00 30.43 C ATOM 1111 CD ARG A 77 17.467 47.403 -33.090 1.00 20.32 C ATOM 1112 NE ARG A 77 16.162 47.815 -32.575 1.00 45.02 N ATOM 1113 CZ ARG A 77 15.311 47.008 -31.937 1.00 1.11 C ATOM 1114 NH1 ARG A 77 15.652 45.758 -31.645 1.00 21.40 N1+ ATOM 1115 NH2 ARG A 77 14.121 47.465 -31.573 1.00 14.15 N ATOM 0 H ARG A 77 18.286 49.502 -36.146 1.00 2.44 H new ATOM 0 HA ARG A 77 20.147 47.590 -36.939 1.00 13.33 H new ATOM 0 HB2 ARG A 77 19.226 46.373 -34.886 1.00 21.41 H new ATOM 0 HB3 ARG A 77 19.710 48.032 -34.593 1.00 21.41 H new ATOM 0 HG2 ARG A 77 17.365 48.774 -34.735 1.00 30.43 H new ATOM 0 HG3 ARG A 77 16.850 47.145 -35.127 1.00 30.43 H new ATOM 0 HD2 ARG A 77 17.604 46.334 -32.930 1.00 20.32 H new ATOM 0 HD3 ARG A 77 18.257 47.912 -32.538 1.00 20.32 H new ATOM 0 HE ARG A 77 15.882 48.786 -32.713 1.00 45.02 H new ATOM 0 HH11 ARG A 77 16.572 45.406 -31.908 1.00 21.40 H new ATOM 0 HH12 ARG A 77 14.994 45.150 -31.157 1.00 21.40 H new ATOM 0 HH21 ARG A 77 13.859 48.429 -31.781 1.00 14.15 H new ATOM 0 HH22 ARG A 77 13.467 46.853 -31.085 1.00 14.15 H new ATOM 1129 N MET A 78 19.137 45.649 -37.968 1.00 12.00 N ATOM 1130 CA MET A 78 18.640 44.377 -38.471 1.00 2.03 C ATOM 1131 C MET A 78 19.442 43.262 -37.809 1.00 70.13 C ATOM 1132 O MET A 78 20.659 43.175 -37.987 1.00 44.34 O ATOM 1133 CB MET A 78 18.768 44.306 -39.995 1.00 63.14 C ATOM 1134 CG MET A 78 18.261 43.002 -40.596 1.00 52.15 C ATOM 1135 SD MET A 78 18.306 43.011 -42.400 1.00 73.31 S ATOM 1136 CE MET A 78 17.731 41.353 -42.761 1.00 35.54 C ATOM 0 H MET A 78 20.134 45.794 -38.127 1.00 12.00 H new ATOM 0 HA MET A 78 17.582 44.270 -38.231 1.00 2.03 H new ATOM 0 HB2 MET A 78 18.216 45.136 -40.435 1.00 63.14 H new ATOM 0 HB3 MET A 78 19.815 44.438 -40.269 1.00 63.14 H new ATOM 0 HG2 MET A 78 18.866 42.175 -40.225 1.00 52.15 H new ATOM 0 HG3 MET A 78 17.239 42.825 -40.262 1.00 52.15 H new ATOM 0 HE1 MET A 78 17.704 41.204 -43.840 1.00 35.54 H new ATOM 0 HE2 MET A 78 18.409 40.627 -42.312 1.00 35.54 H new ATOM 0 HE3 MET A 78 16.730 41.218 -42.351 1.00 35.54 H new ATOM 1146 N VAL A 79 18.766 42.430 -37.030 1.00 63.22 N ATOM 1147 CA VAL A 79 19.450 41.478 -36.162 1.00 53.31 C ATOM 1148 C VAL A 79 19.906 40.239 -36.918 1.00 34.33 C ATOM 1149 O VAL A 79 19.109 39.347 -37.215 1.00 23.05 O ATOM 1150 CB VAL A 79 18.562 41.042 -34.978 1.00 51.15 C ATOM 1151 CG1 VAL A 79 19.367 40.228 -33.982 1.00 62.34 C ATOM 1152 CG2 VAL A 79 17.931 42.249 -34.308 1.00 20.14 C ATOM 0 H VAL A 79 17.748 42.393 -36.980 1.00 63.22 H new ATOM 0 HA VAL A 79 20.327 42.001 -35.780 1.00 53.31 H new ATOM 0 HB VAL A 79 17.759 40.413 -35.362 1.00 51.15 H new ATOM 0 HG11 VAL A 79 18.725 39.929 -33.153 1.00 62.34 H new ATOM 0 HG12 VAL A 79 19.763 39.339 -34.474 1.00 62.34 H new ATOM 0 HG13 VAL A 79 20.192 40.830 -33.602 1.00 62.34 H new ATOM 0 HG21 VAL A 79 17.309 41.919 -33.476 1.00 20.14 H new ATOM 0 HG22 VAL A 79 18.714 42.910 -33.936 1.00 20.14 H new ATOM 0 HG23 VAL A 79 17.316 42.786 -35.030 1.00 20.14 H new ATOM 1162 N THR A 80 21.190 40.186 -37.222 1.00 24.24 N ATOM 1163 CA THR A 80 21.779 39.014 -37.840 1.00 43.31 C ATOM 1164 C THR A 80 22.656 38.294 -36.814 1.00 22.22 C ATOM 1165 O THR A 80 22.998 38.868 -35.778 1.00 20.53 O ATOM 1166 CB THR A 80 22.613 39.414 -39.075 1.00 4.42 C ATOM 1167 OG1 THR A 80 21.886 40.376 -39.847 1.00 23.43 O ATOM 1168 CG2 THR A 80 22.936 38.210 -39.950 1.00 23.11 C ATOM 0 H THR A 80 21.848 40.946 -37.049 1.00 24.24 H new ATOM 0 HA THR A 80 20.986 38.345 -38.172 1.00 43.31 H new ATOM 0 HB THR A 80 23.553 39.839 -38.723 1.00 4.42 H new ATOM 0 HG1 THR A 80 22.337 40.514 -40.706 1.00 23.43 H new ATOM 0 HG21 THR A 80 23.524 38.532 -40.809 1.00 23.11 H new ATOM 0 HG22 THR A 80 23.506 37.483 -39.372 1.00 23.11 H new ATOM 0 HG23 THR A 80 22.009 37.752 -40.296 1.00 23.11 H new ATOM 1176 N ASN A 81 22.996 37.042 -37.087 1.00 12.13 N ATOM 1177 CA ASN A 81 23.807 36.248 -36.168 1.00 13.33 C ATOM 1178 C ASN A 81 25.208 36.833 -36.029 1.00 53.52 C ATOM 1179 O ASN A 81 25.717 36.991 -34.921 1.00 72.31 O ATOM 1180 CB ASN A 81 23.893 34.792 -36.637 1.00 31.34 C ATOM 1181 CG ASN A 81 22.560 34.070 -36.554 1.00 23.22 C ATOM 1182 OD1 ASN A 81 21.497 34.683 -36.660 1.00 55.05 O ATOM 1183 ND2 ASN A 81 22.605 32.762 -36.368 1.00 51.02 N ATOM 0 H ASN A 81 22.723 36.551 -37.939 1.00 12.13 H new ATOM 0 HA ASN A 81 23.322 36.275 -35.192 1.00 13.33 H new ATOM 0 HB2 ASN A 81 24.252 34.767 -37.666 1.00 31.34 H new ATOM 0 HB3 ASN A 81 24.627 34.262 -36.030 1.00 31.34 H new ATOM 0 HD21 ASN A 81 21.740 32.225 -36.308 1.00 51.02 H new ATOM 0 HD22 ASN A 81 23.505 32.289 -36.285 1.00 51.02 H new ATOM 1190 N ASP A 82 25.823 37.169 -37.155 1.00 32.11 N ATOM 1191 CA ASP A 82 27.166 37.732 -37.138 1.00 24.13 C ATOM 1192 C ASP A 82 27.138 39.224 -37.423 1.00 61.51 C ATOM 1193 O ASP A 82 27.208 40.042 -36.510 1.00 75.51 O ATOM 1194 CB ASP A 82 28.070 37.037 -38.161 1.00 23.52 C ATOM 1195 CG ASP A 82 28.339 35.590 -37.821 1.00 72.21 C ATOM 1196 OD1 ASP A 82 29.128 35.332 -36.888 1.00 63.25 O ATOM 1197 OD2 ASP A 82 27.775 34.706 -38.497 1.00 30.43 O1- ATOM 0 H ASP A 82 25.417 37.063 -38.085 1.00 32.11 H new ATOM 0 HA ASP A 82 27.570 37.569 -36.139 1.00 24.13 H new ATOM 0 HB2 ASP A 82 27.606 37.093 -39.146 1.00 23.52 H new ATOM 0 HB3 ASP A 82 29.017 37.572 -38.224 1.00 23.52 H new ATOM 1202 N TYR A 83 27.017 39.566 -38.698 1.00 2.10 N ATOM 1203 CA TYR A 83 27.073 40.951 -39.140 1.00 61.22 C ATOM 1204 C TYR A 83 25.872 41.743 -38.647 1.00 25.13 C ATOM 1205 O TYR A 83 24.725 41.392 -38.924 1.00 35.42 O ATOM 1206 CB TYR A 83 27.138 41.007 -40.670 1.00 22.35 C ATOM 1207 CG TYR A 83 28.432 40.471 -41.248 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.711 39.110 -41.252 1.00 54.31 C ATOM 1209 CD2 TYR A 83 29.371 41.331 -41.797 1.00 61.31 C ATOM 1210 CE1 TYR A 83 29.892 38.624 -41.783 1.00 54.50 C ATOM 1211 CE2 TYR A 83 30.552 40.856 -42.330 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.808 39.503 -42.321 1.00 0.23 C ATOM 1213 OH TYR A 83 31.986 39.029 -42.854 1.00 35.22 O ATOM 0 H TYR A 83 26.878 38.894 -39.452 1.00 2.10 H new ATOM 0 HA TYR A 83 27.971 41.402 -38.717 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.304 40.437 -41.081 1.00 22.35 H new ATOM 0 HB3 TYR A 83 27.008 42.040 -40.992 1.00 22.35 H new ATOM 0 HD1 TYR A 83 27.994 38.420 -40.833 1.00 54.31 H new ATOM 0 HD2 TYR A 83 29.174 42.393 -41.808 1.00 61.31 H new ATOM 0 HE1 TYR A 83 30.095 37.563 -41.776 1.00 54.50 H new ATOM 0 HE2 TYR A 83 31.272 41.542 -42.752 1.00 43.02 H new ATOM 0 HH TYR A 83 32.518 39.780 -43.191 1.00 35.22 H new ATOM 1223 N ILE A 84 26.140 42.814 -37.921 1.00 71.04 N ATOM 1224 CA ILE A 84 25.084 43.696 -37.461 1.00 33.43 C ATOM 1225 C ILE A 84 24.770 44.694 -38.564 1.00 24.33 C ATOM 1226 O ILE A 84 25.565 45.596 -38.846 1.00 13.30 O ATOM 1227 CB ILE A 84 25.451 44.460 -36.164 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.839 43.497 -35.035 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.288 45.336 -35.722 1.00 63.41 C ATOM 1230 CD1 ILE A 84 27.272 43.012 -35.103 1.00 21.15 C ATOM 0 H ILE A 84 27.079 43.093 -37.638 1.00 71.04 H new ATOM 0 HA ILE A 84 24.218 43.077 -37.226 1.00 33.43 H new ATOM 0 HB ILE A 84 26.314 45.089 -36.383 1.00 35.11 H new ATOM 0 HG12 ILE A 84 25.679 43.993 -34.078 1.00 70.51 H new ATOM 0 HG13 ILE A 84 25.173 42.635 -35.062 1.00 70.51 H new ATOM 0 HG21 ILE A 84 24.559 45.867 -34.810 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.057 46.057 -36.506 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.414 44.712 -35.533 1.00 63.41 H new ATOM 0 HD11 ILE A 84 27.467 42.336 -34.271 1.00 21.15 H new ATOM 0 HD12 ILE A 84 27.434 42.486 -36.044 1.00 21.15 H new ATOM 0 HD13 ILE A 84 27.948 43.865 -35.044 1.00 21.15 H new ATOM 1242 N VAL A 85 23.631 44.510 -39.203 1.00 45.21 N ATOM 1243 CA VAL A 85 23.263 45.328 -40.341 1.00 41.00 C ATOM 1244 C VAL A 85 22.495 46.566 -39.888 1.00 52.13 C ATOM 1245 O VAL A 85 21.406 46.461 -39.328 1.00 43.50 O ATOM 1246 CB VAL A 85 22.410 44.525 -41.345 1.00 62.43 C ATOM 1247 CG1 VAL A 85 22.204 45.319 -42.624 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.051 43.178 -41.648 1.00 64.33 C ATOM 0 H VAL A 85 22.943 43.799 -38.952 1.00 45.21 H new ATOM 0 HA VAL A 85 24.182 45.641 -40.836 1.00 41.00 H new ATOM 0 HB VAL A 85 21.436 44.341 -40.892 1.00 62.43 H new ATOM 0 HG11 VAL A 85 21.600 44.737 -43.320 1.00 1.04 H new ATOM 0 HG12 VAL A 85 21.693 46.254 -42.394 1.00 1.04 H new ATOM 0 HG13 VAL A 85 23.171 45.537 -43.077 1.00 1.04 H new ATOM 0 HG21 VAL A 85 22.430 42.631 -42.358 1.00 64.33 H new ATOM 0 HG22 VAL A 85 24.041 43.334 -42.076 1.00 64.33 H new ATOM 0 HG23 VAL A 85 23.141 42.602 -40.727 1.00 64.33 H new ATOM 1258 N ASP A 86 23.083 47.731 -40.108 1.00 31.13 N ATOM 1259 CA ASP A 86 22.429 48.987 -39.780 1.00 20.21 C ATOM 1260 C ASP A 86 21.981 49.682 -41.061 1.00 24.31 C ATOM 1261 O ASP A 86 22.800 50.196 -41.827 1.00 74.51 O ATOM 1262 CB ASP A 86 23.376 49.889 -38.984 1.00 4.42 C ATOM 1263 CG ASP A 86 22.693 51.139 -38.459 1.00 33.31 C ATOM 1264 OD1 ASP A 86 22.495 52.089 -39.242 1.00 21.44 O ATOM 1265 OD2 ASP A 86 22.362 51.179 -37.251 1.00 45.22 O1- ATOM 0 H ASP A 86 24.014 47.833 -40.513 1.00 31.13 H new ATOM 0 HA ASP A 86 21.554 48.783 -39.163 1.00 20.21 H new ATOM 0 HB2 ASP A 86 23.788 49.326 -38.146 1.00 4.42 H new ATOM 0 HB3 ASP A 86 24.215 50.177 -39.618 1.00 4.42 H new ATOM 1270 N ILE A 87 20.684 49.656 -41.311 1.00 70.13 N ATOM 1271 CA ILE A 87 20.125 50.249 -42.515 1.00 11.31 C ATOM 1272 C ILE A 87 19.884 51.740 -42.308 1.00 5.45 C ATOM 1273 O ILE A 87 19.194 52.136 -41.372 1.00 31.44 O ATOM 1274 CB ILE A 87 18.795 49.572 -42.905 1.00 73.15 C ATOM 1275 CG1 ILE A 87 18.985 48.058 -43.038 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.268 50.166 -44.203 1.00 33.35 C ATOM 1277 CD1 ILE A 87 17.703 47.305 -43.321 1.00 31.30 C ATOM 0 H ILE A 87 19.994 49.228 -40.693 1.00 70.13 H new ATOM 0 HA ILE A 87 20.845 50.100 -43.320 1.00 11.31 H new ATOM 0 HB ILE A 87 18.063 49.754 -42.119 1.00 73.15 H new ATOM 0 HG12 ILE A 87 19.697 47.859 -43.839 1.00 41.53 H new ATOM 0 HG13 ILE A 87 19.426 47.674 -42.118 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.329 49.681 -44.470 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.100 51.235 -44.072 1.00 33.35 H new ATOM 0 HG23 ILE A 87 18.997 50.008 -44.998 1.00 33.35 H new ATOM 0 HD11 ILE A 87 17.917 46.239 -43.402 1.00 31.30 H new ATOM 0 HD12 ILE A 87 16.996 47.472 -42.509 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.271 47.660 -44.257 1.00 31.30 H new ATOM 1289 N ALA A 88 20.451 52.570 -43.174 1.00 34.53 N ATOM 1290 CA ALA A 88 20.293 54.009 -43.046 1.00 21.21 C ATOM 1291 C ALA A 88 20.000 54.671 -44.385 1.00 23.43 C ATOM 1292 O ALA A 88 20.878 54.784 -45.237 1.00 54.14 O ATOM 1293 CB ALA A 88 21.541 54.617 -42.433 1.00 40.44 C ATOM 0 H ALA A 88 21.020 52.272 -43.966 1.00 34.53 H new ATOM 0 HA ALA A 88 19.438 54.188 -42.394 1.00 21.21 H new ATOM 0 HB1 ALA A 88 21.413 55.696 -42.341 1.00 40.44 H new ATOM 0 HB2 ALA A 88 21.708 54.186 -41.446 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.399 54.407 -43.071 1.00 40.44 H new ATOM 1299 N ASN A 89 18.765 55.099 -44.577 1.00 52.24 N ATOM 1300 CA ASN A 89 18.434 55.935 -45.718 1.00 21.13 C ATOM 1301 C ASN A 89 18.737 57.379 -45.359 1.00 22.12 C ATOM 1302 O ASN A 89 17.884 58.102 -44.853 1.00 62.21 O ATOM 1303 CB ASN A 89 16.964 55.779 -46.129 1.00 44.43 C ATOM 1304 CG ASN A 89 16.616 56.587 -47.372 1.00 51.24 C ATOM 1305 OD1 ASN A 89 16.214 57.745 -47.288 1.00 34.21 O ATOM 1306 ND2 ASN A 89 16.761 55.980 -48.540 1.00 52.10 N ATOM 0 H ASN A 89 17.980 54.884 -43.963 1.00 52.24 H new ATOM 0 HA ASN A 89 19.035 55.625 -46.572 1.00 21.13 H new ATOM 0 HB2 ASN A 89 16.752 54.726 -46.313 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.324 56.094 -45.304 1.00 44.43 H new ATOM 0 HD21 ASN A 89 16.537 56.475 -49.403 1.00 52.10 H new ATOM 0 HD22 ASN A 89 17.097 55.018 -48.576 1.00 52.10 H new ATOM 1313 N ARG A 90 19.983 57.771 -45.556 1.00 34.23 N ATOM 1314 CA ARG A 90 20.417 59.102 -45.191 1.00 61.53 C ATOM 1315 C ARG A 90 20.460 59.979 -46.436 1.00 14.51 C ATOM 1316 O ARG A 90 20.942 59.542 -47.484 1.00 31.12 O ATOM 1317 CB ARG A 90 21.783 59.035 -44.506 1.00 1.00 C ATOM 1318 CG ARG A 90 22.039 60.188 -43.554 1.00 75.44 C ATOM 1319 CD ARG A 90 23.259 59.934 -42.683 1.00 14.21 C ATOM 1320 NE ARG A 90 23.425 60.971 -41.664 1.00 45.22 N ATOM 1321 CZ ARG A 90 23.529 60.730 -40.355 1.00 45.51 C ATOM 1322 NH1 ARG A 90 23.576 59.481 -39.905 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 23.607 61.741 -39.500 1.00 21.12 N ATOM 0 H ARG A 90 20.710 57.185 -45.967 1.00 34.23 H new ATOM 0 HA ARG A 90 19.712 59.542 -44.486 1.00 61.53 H new ATOM 0 HB2 ARG A 90 21.860 58.097 -43.957 1.00 1.00 H new ATOM 0 HB3 ARG A 90 22.563 59.023 -45.268 1.00 1.00 H new ATOM 0 HG2 ARG A 90 22.183 61.106 -44.124 1.00 75.44 H new ATOM 0 HG3 ARG A 90 21.164 60.339 -42.921 1.00 75.44 H new ATOM 0 HD2 ARG A 90 23.164 58.962 -42.200 1.00 14.21 H new ATOM 0 HD3 ARG A 90 24.150 59.894 -43.309 1.00 14.21 H new ATOM 0 HE ARG A 90 23.464 61.942 -41.974 1.00 45.22 H new ATOM 0 HH11 ARG A 90 23.533 58.701 -40.561 1.00 34.45 H new ATOM 0 HH12 ARG A 90 23.656 59.302 -38.904 1.00 34.45 H new ATOM 0 HH21 ARG A 90 23.587 62.701 -39.843 1.00 21.12 H new ATOM 0 HH22 ARG A 90 23.686 61.558 -38.500 1.00 21.12 H new ATOM 1337 N ASP A 91 19.927 61.198 -46.313 1.00 14.33 N ATOM 1338 CA ASP A 91 19.750 62.112 -47.447 1.00 71.02 C ATOM 1339 C ASP A 91 18.684 61.580 -48.396 1.00 43.52 C ATOM 1340 O ASP A 91 17.578 62.121 -48.468 1.00 61.51 O ATOM 1341 CB ASP A 91 21.064 62.365 -48.202 1.00 34.34 C ATOM 1342 CG ASP A 91 22.045 63.207 -47.412 1.00 2.00 C ATOM 1343 OD1 ASP A 91 21.714 64.369 -47.094 1.00 21.24 O ATOM 1344 OD2 ASP A 91 23.161 62.722 -47.124 1.00 32.31 O1- ATOM 0 H ASP A 91 19.605 61.580 -45.424 1.00 14.33 H new ATOM 0 HA ASP A 91 19.423 63.070 -47.042 1.00 71.02 H new ATOM 0 HB2 ASP A 91 21.527 61.409 -48.445 1.00 34.34 H new ATOM 0 HB3 ASP A 91 20.844 62.862 -49.147 1.00 34.34 H new ATOM 1349 N GLY A 92 19.011 60.512 -49.104 1.00 75.32 N ATOM 1350 CA GLY A 92 18.064 59.891 -50.009 1.00 62.34 C ATOM 1351 C GLY A 92 18.671 58.713 -50.732 1.00 52.21 C ATOM 1352 O GLY A 92 18.293 58.399 -51.861 1.00 23.30 O ATOM 0 H GLY A 92 19.924 60.059 -49.068 1.00 75.32 H new ATOM 0 HA2 GLY A 92 17.188 59.562 -49.450 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.720 60.626 -50.736 1.00 62.34 H new ATOM 1356 N GLN A 93 19.619 58.058 -50.081 1.00 55.42 N ATOM 1357 CA GLN A 93 20.318 56.934 -50.681 1.00 43.03 C ATOM 1358 C GLN A 93 20.311 55.746 -49.728 1.00 53.23 C ATOM 1359 O GLN A 93 20.267 55.922 -48.509 1.00 62.41 O ATOM 1360 CB GLN A 93 21.763 57.324 -51.017 1.00 32.14 C ATOM 1361 CG GLN A 93 21.900 58.624 -51.807 1.00 62.32 C ATOM 1362 CD GLN A 93 21.762 58.459 -53.316 1.00 5.43 C ATOM 1363 OE1 GLN A 93 21.003 57.470 -53.764 1.00 25.23 O flip ATOM 1364 NE2 GLN A 93 22.352 59.224 -54.080 1.00 33.20 N flip ATOM 0 H GLN A 93 19.922 58.287 -49.134 1.00 55.42 H new ATOM 0 HA GLN A 93 19.805 56.656 -51.602 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.326 57.417 -50.088 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.221 56.516 -51.588 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.144 59.328 -51.460 1.00 62.32 H new ATOM 0 HG3 GLN A 93 22.872 59.067 -51.589 1.00 62.32 H new ATOM 0 HE21 GLN A 93 22.929 59.976 -53.703 1.00 33.20 H new ATOM 0 HE22 GLN A 93 22.264 59.105 -55.089 1.00 33.20 H new ATOM 1373 N LEU A 94 20.342 54.543 -50.285 1.00 22.14 N ATOM 1374 CA LEU A 94 20.371 53.329 -49.480 1.00 50.31 C ATOM 1375 C LEU A 94 21.780 53.053 -48.972 1.00 43.43 C ATOM 1376 O LEU A 94 22.597 52.430 -49.652 1.00 52.24 O ATOM 1377 CB LEU A 94 19.838 52.125 -50.272 1.00 41.23 C ATOM 1378 CG LEU A 94 18.308 51.985 -50.321 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.743 51.834 -48.914 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.669 53.173 -51.029 1.00 42.11 C ATOM 0 H LEU A 94 20.348 54.381 -51.292 1.00 22.14 H new ATOM 0 HA LEU A 94 19.718 53.483 -48.621 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.211 52.191 -51.294 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.254 51.215 -49.839 1.00 41.23 H new ATOM 0 HG LEU A 94 18.069 51.087 -50.892 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.659 51.736 -48.966 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.166 50.945 -48.446 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.000 52.713 -48.322 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.587 53.046 -51.048 1.00 42.11 H new ATOM 0 HD22 LEU A 94 17.917 54.091 -50.496 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.045 53.233 -52.050 1.00 42.11 H new ATOM 1392 N GLN A 95 22.059 53.549 -47.780 1.00 22.34 N ATOM 1393 CA GLN A 95 23.348 53.361 -47.146 1.00 52.10 C ATOM 1394 C GLN A 95 23.289 52.179 -46.184 1.00 55.53 C ATOM 1395 O GLN A 95 22.561 52.204 -45.188 1.00 20.22 O ATOM 1396 CB GLN A 95 23.750 54.647 -46.417 1.00 54.30 C ATOM 1397 CG GLN A 95 24.907 54.484 -45.447 1.00 4.25 C ATOM 1398 CD GLN A 95 25.345 55.801 -44.833 1.00 5.40 C ATOM 1399 OE1 GLN A 95 25.270 56.871 -45.610 1.00 14.41 O flip ATOM 1400 NE2 GLN A 95 25.771 55.853 -43.681 1.00 5.31 N flip ATOM 0 H GLN A 95 21.398 54.093 -47.226 1.00 22.34 H new ATOM 0 HA GLN A 95 24.101 53.141 -47.903 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.016 55.402 -47.157 1.00 54.30 H new ATOM 0 HB3 GLN A 95 22.886 55.026 -45.872 1.00 54.30 H new ATOM 0 HG2 GLN A 95 24.616 53.796 -44.653 1.00 4.25 H new ATOM 0 HG3 GLN A 95 25.751 54.032 -45.967 1.00 4.25 H new ATOM 0 HE21 GLN A 95 25.813 55.006 -43.114 1.00 5.31 H new ATOM 0 HE22 GLN A 95 26.082 56.743 -43.292 1.00 5.31 H new ATOM 1409 N LEU A 96 24.040 51.135 -46.500 1.00 75.11 N ATOM 1410 CA LEU A 96 24.045 49.928 -45.692 1.00 53.33 C ATOM 1411 C LEU A 96 25.286 49.886 -44.806 1.00 12.32 C ATOM 1412 O LEU A 96 26.408 49.767 -45.304 1.00 51.50 O ATOM 1413 CB LEU A 96 24.000 48.692 -46.595 1.00 11.23 C ATOM 1414 CG LEU A 96 23.662 47.384 -45.884 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.233 47.428 -45.363 1.00 12.31 C ATOM 1416 CD2 LEU A 96 23.859 46.198 -46.818 1.00 11.35 C ATOM 0 H LEU A 96 24.655 51.101 -47.313 1.00 75.11 H new ATOM 0 HA LEU A 96 23.162 49.932 -45.053 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.264 48.861 -47.381 1.00 11.23 H new ATOM 0 HB3 LEU A 96 24.968 48.582 -47.084 1.00 11.23 H new ATOM 0 HG LEU A 96 24.338 47.261 -45.038 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.001 46.491 -44.857 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.127 48.255 -44.661 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.546 47.570 -46.197 1.00 12.31 H new ATOM 0 HD21 LEU A 96 23.613 45.276 -46.292 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.208 46.306 -47.685 1.00 11.35 H new ATOM 0 HD23 LEU A 96 24.898 46.162 -47.146 1.00 11.35 H new ATOM 1428 N ASN A 97 25.086 49.993 -43.502 1.00 24.34 N ATOM 1429 CA ASN A 97 26.196 49.965 -42.556 1.00 24.31 C ATOM 1430 C ASN A 97 26.418 48.547 -42.052 1.00 43.41 C ATOM 1431 O ASN A 97 25.658 48.050 -41.219 1.00 33.42 O ATOM 1432 CB ASN A 97 25.934 50.897 -41.366 1.00 32.34 C ATOM 1433 CG ASN A 97 25.750 52.346 -41.777 1.00 4.11 C ATOM 1434 OD1 ASN A 97 26.720 53.091 -41.908 1.00 11.22 O ATOM 1435 ND2 ASN A 97 24.505 52.762 -41.958 1.00 2.51 N ATOM 0 H ASN A 97 24.167 50.100 -43.072 1.00 24.34 H new ATOM 0 HA ASN A 97 27.089 50.312 -43.077 1.00 24.31 H new ATOM 0 HB2 ASN A 97 25.043 50.559 -40.836 1.00 32.34 H new ATOM 0 HB3 ASN A 97 26.767 50.827 -40.666 1.00 32.34 H new ATOM 0 HD21 ASN A 97 24.324 53.732 -42.216 1.00 2.51 H new ATOM 0 HD22 ASN A 97 23.728 52.112 -41.840 1.00 2.51 H new ATOM 1442 N VAL A 98 27.444 47.891 -42.568 1.00 45.14 N ATOM 1443 CA VAL A 98 27.752 46.534 -42.160 1.00 72.02 C ATOM 1444 C VAL A 98 28.768 46.526 -41.031 1.00 15.31 C ATOM 1445 O VAL A 98 29.939 46.859 -41.216 1.00 42.35 O ATOM 1446 CB VAL A 98 28.265 45.694 -43.344 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.775 44.348 -42.880 1.00 50.42 C ATOM 1448 CG2 VAL A 98 27.160 45.507 -44.363 1.00 24.02 C ATOM 0 H VAL A 98 28.076 48.277 -43.269 1.00 45.14 H new ATOM 0 HA VAL A 98 26.827 46.083 -41.800 1.00 72.02 H new ATOM 0 HB VAL A 98 29.095 46.229 -43.805 1.00 44.14 H new ATOM 0 HG11 VAL A 98 29.130 43.778 -43.738 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.594 44.492 -42.176 1.00 50.42 H new ATOM 0 HG13 VAL A 98 27.968 43.802 -42.391 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.531 44.912 -45.197 1.00 24.02 H new ATOM 0 HG22 VAL A 98 26.319 44.994 -43.897 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.834 46.481 -44.729 1.00 24.02 H new ATOM 1458 N THR A 99 28.299 46.168 -39.854 1.00 13.53 N ATOM 1459 CA THR A 99 29.156 46.044 -38.697 1.00 63.52 C ATOM 1460 C THR A 99 29.548 44.585 -38.501 1.00 34.14 C ATOM 1461 O THR A 99 28.718 43.761 -38.112 1.00 52.04 O ATOM 1462 CB THR A 99 28.434 46.568 -37.447 1.00 15.12 C ATOM 1463 OG1 THR A 99 27.969 47.900 -37.697 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.346 46.557 -36.231 1.00 64.32 C ATOM 0 H THR A 99 27.318 45.956 -39.674 1.00 13.53 H new ATOM 0 HA THR A 99 30.057 46.637 -38.856 1.00 63.52 H new ATOM 0 HB THR A 99 27.591 45.911 -37.234 1.00 15.12 H new ATOM 0 HG1 THR A 99 27.506 48.239 -36.903 1.00 32.14 H new ATOM 0 HG21 THR A 99 28.802 46.934 -35.365 1.00 64.32 H new ATOM 0 HG22 THR A 99 29.679 45.538 -36.035 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.212 47.191 -36.420 1.00 64.32 H new ATOM 1472 N ASP A 100 30.798 44.259 -38.800 1.00 61.11 N ATOM 1473 CA ASP A 100 31.254 42.878 -38.733 1.00 23.41 C ATOM 1474 C ASP A 100 31.399 42.408 -37.292 1.00 63.40 C ATOM 1475 O ASP A 100 31.739 43.182 -36.397 1.00 62.23 O ATOM 1476 CB ASP A 100 32.583 42.704 -39.468 1.00 14.41 C ATOM 1477 CG ASP A 100 32.990 41.245 -39.589 1.00 53.52 C ATOM 1478 OD1 ASP A 100 34.191 40.975 -39.768 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.115 40.364 -39.478 1.00 11.31 O1- ATOM 0 H ASP A 100 31.511 44.928 -39.090 1.00 61.11 H new ATOM 0 HA ASP A 100 30.496 42.266 -39.221 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.505 43.140 -40.464 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.362 43.253 -38.940 1.00 14.41 H new ATOM 1484 N ARG A 101 31.141 41.129 -37.094 1.00 1.22 N ATOM 1485 CA ARG A 101 31.278 40.489 -35.798 1.00 70.42 C ATOM 1486 C ARG A 101 32.645 39.823 -35.697 1.00 41.44 C ATOM 1487 O ARG A 101 33.197 39.661 -34.608 1.00 3.54 O ATOM 1488 CB ARG A 101 30.179 39.436 -35.637 1.00 70.04 C ATOM 1489 CG ARG A 101 30.270 38.623 -34.358 1.00 12.41 C ATOM 1490 CD ARG A 101 29.321 37.438 -34.396 1.00 13.24 C ATOM 1491 NE ARG A 101 29.406 36.624 -33.186 1.00 14.53 N ATOM 1492 CZ ARG A 101 29.172 35.313 -33.152 1.00 32.32 C ATOM 1493 NH1 ARG A 101 28.904 34.652 -34.272 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 29.243 34.653 -32.002 1.00 52.25 N ATOM 0 H ARG A 101 30.828 40.500 -37.833 1.00 1.22 H new ATOM 0 HA ARG A 101 31.186 41.237 -35.010 1.00 70.42 H new ATOM 0 HB2 ARG A 101 29.209 39.933 -35.669 1.00 70.04 H new ATOM 0 HB3 ARG A 101 30.217 38.756 -36.488 1.00 70.04 H new ATOM 0 HG2 ARG A 101 31.292 38.270 -34.219 1.00 12.41 H new ATOM 0 HG3 ARG A 101 30.032 39.256 -33.503 1.00 12.41 H new ATOM 0 HD2 ARG A 101 28.299 37.797 -34.519 1.00 13.24 H new ATOM 0 HD3 ARG A 101 29.549 36.820 -35.264 1.00 13.24 H new ATOM 0 HE ARG A 101 29.660 37.088 -32.314 1.00 14.53 H new ATOM 0 HH11 ARG A 101 28.877 35.148 -35.163 1.00 20.33 H new ATOM 0 HH12 ARG A 101 28.725 33.648 -34.241 1.00 20.33 H new ATOM 0 HH21 ARG A 101 29.477 35.150 -31.142 1.00 52.25 H new ATOM 0 HH22 ARG A 101 29.063 33.649 -31.978 1.00 52.25 H new ATOM 1508 N LYS A 102 33.193 39.457 -36.847 1.00 25.22 N ATOM 1509 CA LYS A 102 34.424 38.684 -36.898 1.00 51.24 C ATOM 1510 C LYS A 102 35.644 39.593 -36.799 1.00 24.03 C ATOM 1511 O LYS A 102 36.380 39.550 -35.813 1.00 61.52 O ATOM 1512 CB LYS A 102 34.464 37.862 -38.185 1.00 63.24 C ATOM 1513 CG LYS A 102 33.135 37.195 -38.497 1.00 64.00 C ATOM 1514 CD LYS A 102 33.204 36.309 -39.726 1.00 42.35 C ATOM 1515 CE LYS A 102 33.983 35.035 -39.449 1.00 32.33 C ATOM 1516 NZ LYS A 102 33.831 34.047 -40.547 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.802 39.685 -37.761 1.00 25.22 H new ATOM 0 HA LYS A 102 34.447 38.006 -36.045 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.745 38.509 -39.016 1.00 63.24 H new ATOM 0 HB3 LYS A 102 35.238 37.099 -38.100 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.822 36.598 -37.640 1.00 64.00 H new ATOM 0 HG3 LYS A 102 32.374 37.961 -38.648 1.00 64.00 H new ATOM 0 HD2 LYS A 102 32.195 36.056 -40.051 1.00 42.35 H new ATOM 0 HD3 LYS A 102 33.675 36.855 -40.544 1.00 42.35 H new ATOM 0 HE2 LYS A 102 35.038 35.275 -39.319 1.00 32.33 H new ATOM 0 HE3 LYS A 102 33.639 34.595 -38.513 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 34.377 33.191 -40.322 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 32.827 33.799 -40.654 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 34.183 34.458 -41.435 1.00 73.14 H new ATOM 1530 N THR A 103 35.847 40.428 -37.807 1.00 32.11 N ATOM 1531 CA THR A 103 36.972 41.353 -37.812 1.00 65.25 C ATOM 1532 C THR A 103 36.598 42.645 -37.092 1.00 51.12 C ATOM 1533 O THR A 103 37.464 43.417 -36.673 1.00 72.12 O ATOM 1534 CB THR A 103 37.440 41.673 -39.248 1.00 3.51 C ATOM 1535 OG1 THR A 103 36.368 42.250 -40.007 1.00 71.14 O ATOM 1536 CG2 THR A 103 37.938 40.414 -39.941 1.00 15.44 C ATOM 0 H THR A 103 35.249 40.485 -38.631 1.00 32.11 H new ATOM 0 HA THR A 103 37.796 40.870 -37.287 1.00 65.25 H new ATOM 0 HB THR A 103 38.259 42.390 -39.186 1.00 3.51 H new ATOM 0 HG1 THR A 103 35.689 41.566 -40.186 1.00 71.14 H new ATOM 0 HG21 THR A 103 38.263 40.660 -40.952 1.00 15.44 H new ATOM 0 HG22 THR A 103 38.775 39.998 -39.381 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.132 39.681 -39.987 1.00 15.44 H new ATOM 1544 N GLY A 104 35.293 42.863 -36.960 1.00 65.24 N ATOM 1545 CA GLY A 104 34.780 44.012 -36.236 1.00 42.41 C ATOM 1546 C GLY A 104 34.984 45.316 -36.979 1.00 24.42 C ATOM 1547 O GLY A 104 34.978 46.391 -36.377 1.00 13.23 O ATOM 0 H GLY A 104 34.572 42.254 -37.348 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.716 43.870 -36.047 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.271 44.072 -35.265 1.00 42.41 H new ATOM 1551 N GLN A 105 35.169 45.221 -38.285 1.00 51.35 N ATOM 1552 CA GLN A 105 35.289 46.397 -39.123 1.00 72.04 C ATOM 1553 C GLN A 105 33.909 46.833 -39.592 1.00 12.40 C ATOM 1554 O GLN A 105 33.079 46.004 -39.971 1.00 64.30 O ATOM 1555 CB GLN A 105 36.193 46.118 -40.330 1.00 71.44 C ATOM 1556 CG GLN A 105 37.638 45.817 -39.964 1.00 11.23 C ATOM 1557 CD GLN A 105 38.299 46.958 -39.215 1.00 44.43 C ATOM 1558 OE1 GLN A 105 37.946 48.125 -39.392 1.00 42.45 O ATOM 1559 NE2 GLN A 105 39.270 46.631 -38.381 1.00 23.32 N ATOM 0 H GLN A 105 35.239 44.336 -38.788 1.00 51.35 H new ATOM 0 HA GLN A 105 35.742 47.197 -38.538 1.00 72.04 H new ATOM 0 HB2 GLN A 105 35.787 45.274 -40.888 1.00 71.44 H new ATOM 0 HB3 GLN A 105 36.170 46.981 -40.996 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.674 44.916 -39.352 1.00 11.23 H new ATOM 0 HG3 GLN A 105 38.203 45.608 -40.872 1.00 11.23 H new ATOM 0 HE21 GLN A 105 39.533 45.653 -38.263 1.00 23.32 H new ATOM 0 HE22 GLN A 105 39.757 47.357 -37.856 1.00 23.32 H new ATOM 1568 N THR A 106 33.655 48.127 -39.541 1.00 25.35 N ATOM 1569 CA THR A 106 32.377 48.660 -39.967 1.00 43.25 C ATOM 1570 C THR A 106 32.458 49.174 -41.396 1.00 44.11 C ATOM 1571 O THR A 106 32.893 50.301 -41.643 1.00 33.22 O ATOM 1572 CB THR A 106 31.904 49.783 -39.028 1.00 61.32 C ATOM 1573 OG1 THR A 106 32.972 50.716 -38.801 1.00 1.35 O ATOM 1574 CG2 THR A 106 31.431 49.212 -37.700 1.00 5.13 C ATOM 0 H THR A 106 34.318 48.828 -39.209 1.00 25.35 H new ATOM 0 HA THR A 106 31.650 47.849 -39.926 1.00 43.25 H new ATOM 0 HB THR A 106 31.069 50.297 -39.503 1.00 61.32 H new ATOM 0 HG1 THR A 106 33.373 50.970 -39.659 1.00 1.35 H new ATOM 0 HG21 THR A 106 31.101 50.024 -37.052 1.00 5.13 H new ATOM 0 HG22 THR A 106 30.602 48.526 -37.874 1.00 5.13 H new ATOM 0 HG23 THR A 106 32.251 48.676 -37.222 1.00 5.13 H new ATOM 1582 N SER A 107 32.050 48.335 -42.331 1.00 30.10 N ATOM 1583 CA SER A 107 32.101 48.680 -43.736 1.00 71.15 C ATOM 1584 C SER A 107 30.740 49.175 -44.210 1.00 42.21 C ATOM 1585 O SER A 107 29.792 48.400 -44.334 1.00 53.14 O ATOM 1586 CB SER A 107 32.548 47.469 -44.557 1.00 62.32 C ATOM 1587 OG SER A 107 33.796 46.976 -44.089 1.00 35.01 O ATOM 0 H SER A 107 31.678 47.405 -42.139 1.00 30.10 H new ATOM 0 HA SER A 107 32.825 49.483 -43.876 1.00 71.15 H new ATOM 0 HB2 SER A 107 31.795 46.683 -44.495 1.00 62.32 H new ATOM 0 HB3 SER A 107 32.632 47.747 -45.608 1.00 62.32 H new ATOM 0 HG SER A 107 34.064 46.201 -44.626 1.00 35.01 H new ATOM 1593 N THR A 108 30.641 50.472 -44.435 1.00 61.34 N ATOM 1594 CA THR A 108 29.417 51.064 -44.934 1.00 45.01 C ATOM 1595 C THR A 108 29.434 51.122 -46.460 1.00 51.14 C ATOM 1596 O THR A 108 30.383 51.625 -47.060 1.00 24.12 O ATOM 1597 CB THR A 108 29.216 52.479 -44.360 1.00 51.54 C ATOM 1598 OG1 THR A 108 29.138 52.419 -42.928 1.00 42.23 O ATOM 1599 CG2 THR A 108 27.953 53.113 -44.910 1.00 12.31 C ATOM 0 H THR A 108 31.398 51.137 -44.279 1.00 61.34 H new ATOM 0 HA THR A 108 28.586 50.437 -44.611 1.00 45.01 H new ATOM 0 HB THR A 108 30.069 53.090 -44.656 1.00 51.54 H new ATOM 0 HG1 THR A 108 28.277 52.782 -42.632 1.00 42.23 H new ATOM 0 HG21 THR A 108 27.834 54.111 -44.489 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.024 53.183 -45.995 1.00 12.31 H new ATOM 0 HG23 THR A 108 27.092 52.501 -44.641 1.00 12.31 H new ATOM 1607 N ILE A 109 28.398 50.572 -47.078 1.00 13.34 N ATOM 1608 CA ILE A 109 28.265 50.600 -48.528 1.00 55.11 C ATOM 1609 C ILE A 109 27.044 51.424 -48.923 1.00 14.15 C ATOM 1610 O ILE A 109 25.904 51.034 -48.660 1.00 1.14 O ATOM 1611 CB ILE A 109 28.145 49.181 -49.150 1.00 61.20 C ATOM 1612 CG1 ILE A 109 29.399 48.333 -48.875 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.905 49.277 -50.650 1.00 4.42 C ATOM 1614 CD1 ILE A 109 29.438 47.718 -47.495 1.00 12.41 C ATOM 0 H ILE A 109 27.634 50.099 -46.595 1.00 13.34 H new ATOM 0 HA ILE A 109 29.176 51.054 -48.918 1.00 55.11 H new ATOM 0 HB ILE A 109 27.294 48.689 -48.679 1.00 61.20 H new ATOM 0 HG12 ILE A 109 29.456 47.537 -49.617 1.00 73.01 H new ATOM 0 HG13 ILE A 109 30.283 48.957 -49.008 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.823 48.275 -51.070 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.981 49.825 -50.836 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.738 49.800 -51.119 1.00 4.42 H new ATOM 0 HD11 ILE A 109 30.353 47.137 -47.381 1.00 12.41 H new ATOM 0 HD12 ILE A 109 29.414 48.508 -46.744 1.00 12.41 H new ATOM 0 HD13 ILE A 109 28.575 47.066 -47.363 1.00 12.41 H new ATOM 1626 N GLN A 110 27.286 52.575 -49.525 1.00 42.43 N ATOM 1627 CA GLN A 110 26.208 53.428 -49.996 1.00 3.53 C ATOM 1628 C GLN A 110 25.840 53.069 -51.433 1.00 10.22 C ATOM 1629 O GLN A 110 26.575 53.386 -52.366 1.00 61.10 O ATOM 1630 CB GLN A 110 26.620 54.899 -49.911 1.00 51.25 C ATOM 1631 CG GLN A 110 26.935 55.354 -48.496 1.00 2.41 C ATOM 1632 CD GLN A 110 27.417 56.789 -48.430 1.00 4.14 C ATOM 1633 OE1 GLN A 110 26.623 57.721 -48.288 1.00 23.33 O ATOM 1634 NE2 GLN A 110 28.723 56.975 -48.514 1.00 32.10 N ATOM 0 H GLN A 110 28.222 52.942 -49.700 1.00 42.43 H new ATOM 0 HA GLN A 110 25.337 53.270 -49.360 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.495 55.061 -50.541 1.00 51.25 H new ATOM 0 HB3 GLN A 110 25.818 55.518 -50.314 1.00 51.25 H new ATOM 0 HG2 GLN A 110 26.043 55.247 -47.879 1.00 2.41 H new ATOM 0 HG3 GLN A 110 27.697 54.701 -48.071 1.00 2.41 H new ATOM 0 HE21 GLN A 110 29.345 56.176 -48.631 1.00 32.10 H new ATOM 0 HE22 GLN A 110 29.108 57.918 -48.461 1.00 32.10 H new ATOM 1643 N VAL A 111 24.723 52.379 -51.610 1.00 22.34 N ATOM 1644 CA VAL A 111 24.258 52.026 -52.945 1.00 74.24 C ATOM 1645 C VAL A 111 23.433 53.178 -53.509 1.00 21.00 C ATOM 1646 O VAL A 111 22.224 53.261 -53.292 1.00 75.11 O ATOM 1647 CB VAL A 111 23.414 50.729 -52.939 1.00 73.33 C ATOM 1648 CG1 VAL A 111 23.082 50.289 -54.362 1.00 13.23 C ATOM 1649 CG2 VAL A 111 24.143 49.622 -52.194 1.00 44.35 C ATOM 0 H VAL A 111 24.124 52.053 -50.851 1.00 22.34 H new ATOM 0 HA VAL A 111 25.131 51.844 -53.571 1.00 74.24 H new ATOM 0 HB VAL A 111 22.477 50.936 -52.421 1.00 73.33 H new ATOM 0 HG11 VAL A 111 22.488 49.375 -54.331 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.515 51.074 -54.862 1.00 13.23 H new ATOM 0 HG13 VAL A 111 24.006 50.103 -54.910 1.00 13.23 H new ATOM 0 HG21 VAL A 111 23.535 48.718 -52.200 1.00 44.35 H new ATOM 0 HG22 VAL A 111 25.096 49.421 -52.683 1.00 44.35 H new ATOM 0 HG23 VAL A 111 24.321 49.933 -51.165 1.00 44.35 H new ATOM 1659 N SER A 112 24.101 54.072 -54.215 1.00 13.43 N ATOM 1660 CA SER A 112 23.492 55.332 -54.608 1.00 25.44 C ATOM 1661 C SER A 112 23.085 55.375 -56.083 1.00 41.43 C ATOM 1662 O SER A 112 22.041 55.929 -56.422 1.00 54.32 O ATOM 1663 CB SER A 112 24.470 56.470 -54.307 1.00 73.52 C ATOM 1664 OG SER A 112 24.983 56.354 -52.988 1.00 50.04 O ATOM 0 H SER A 112 25.064 53.950 -54.528 1.00 13.43 H new ATOM 0 HA SER A 112 22.573 55.442 -54.032 1.00 25.44 H new ATOM 0 HB2 SER A 112 25.290 56.451 -55.025 1.00 73.52 H new ATOM 0 HB3 SER A 112 23.966 57.430 -54.424 1.00 73.52 H new ATOM 0 HG SER A 112 25.608 57.089 -52.814 1.00 50.04 H new ATOM 1670 N GLY A 113 23.892 54.782 -56.957 1.00 3.12 N ATOM 1671 CA GLY A 113 23.709 55.007 -58.381 1.00 51.54 C ATOM 1672 C GLY A 113 23.098 53.841 -59.138 1.00 51.43 C ATOM 1673 O GLY A 113 23.282 53.746 -60.352 1.00 53.21 O ATOM 0 H GLY A 113 24.660 54.158 -56.711 1.00 3.12 H new ATOM 0 HA2 GLY A 113 23.074 55.883 -58.517 1.00 51.54 H new ATOM 0 HA3 GLY A 113 24.677 55.242 -58.824 1.00 51.54 H new ATOM 1677 N LEU A 114 22.375 52.963 -58.439 1.00 24.32 N ATOM 1678 CA LEU A 114 21.710 51.820 -59.074 1.00 41.32 C ATOM 1679 C LEU A 114 22.716 51.002 -59.872 1.00 21.34 C ATOM 1680 O LEU A 114 22.708 50.995 -61.102 1.00 34.33 O ATOM 1681 CB LEU A 114 20.563 52.288 -59.977 1.00 64.43 C ATOM 1682 CG LEU A 114 19.431 53.024 -59.259 1.00 3.52 C ATOM 1683 CD1 LEU A 114 18.441 53.587 -60.265 1.00 71.24 C ATOM 1684 CD2 LEU A 114 18.723 52.091 -58.286 1.00 25.04 C ATOM 0 H LEU A 114 22.234 53.021 -57.430 1.00 24.32 H new ATOM 0 HA LEU A 114 21.289 51.190 -58.291 1.00 41.32 H new ATOM 0 HB2 LEU A 114 20.971 52.944 -60.746 1.00 64.43 H new ATOM 0 HB3 LEU A 114 20.145 51.420 -60.487 1.00 64.43 H new ATOM 0 HG LEU A 114 19.861 53.852 -58.695 1.00 3.52 H new ATOM 0 HD11 LEU A 114 17.642 54.108 -59.737 1.00 71.24 H new ATOM 0 HD12 LEU A 114 18.953 54.285 -60.928 1.00 71.24 H new ATOM 0 HD13 LEU A 114 18.017 52.773 -60.853 1.00 71.24 H new ATOM 0 HD21 LEU A 114 17.920 52.631 -57.783 1.00 25.04 H new ATOM 0 HD22 LEU A 114 18.305 51.245 -58.832 1.00 25.04 H new ATOM 0 HD23 LEU A 114 19.436 51.729 -57.545 1.00 25.04 H new ATOM 1696 N GLN A 115 23.590 50.323 -59.150 1.00 45.34 N ATOM 1697 CA GLN A 115 24.741 49.664 -59.749 1.00 40.42 C ATOM 1698 C GLN A 115 24.495 48.169 -59.948 1.00 4.04 C ATOM 1699 O GLN A 115 25.439 47.384 -60.054 1.00 53.53 O ATOM 1700 CB GLN A 115 25.967 49.913 -58.864 1.00 34.14 C ATOM 1701 CG GLN A 115 25.767 49.522 -57.409 1.00 25.34 C ATOM 1702 CD GLN A 115 26.851 50.077 -56.509 1.00 62.34 C ATOM 1703 OE1 GLN A 115 26.724 51.182 -55.977 1.00 30.31 O ATOM 1704 NE2 GLN A 115 27.919 49.321 -56.333 1.00 61.02 N ATOM 0 H GLN A 115 23.524 50.212 -58.138 1.00 45.34 H new ATOM 0 HA GLN A 115 24.916 50.083 -60.740 1.00 40.42 H new ATOM 0 HB2 GLN A 115 26.813 49.355 -59.267 1.00 34.14 H new ATOM 0 HB3 GLN A 115 26.230 50.970 -58.913 1.00 34.14 H new ATOM 0 HG2 GLN A 115 24.796 49.882 -57.069 1.00 25.34 H new ATOM 0 HG3 GLN A 115 25.751 48.435 -57.326 1.00 25.34 H new ATOM 0 HE21 GLN A 115 27.982 48.413 -56.793 1.00 61.02 H new ATOM 0 HE22 GLN A 115 28.681 49.645 -55.737 1.00 61.02 H new ATOM 1713 N ASN A 116 23.223 47.786 -60.015 1.00 43.54 N ATOM 1714 CA ASN A 116 22.840 46.396 -60.244 1.00 10.42 C ATOM 1715 C ASN A 116 21.358 46.326 -60.608 1.00 30.14 C ATOM 1716 O ASN A 116 20.638 47.311 -60.434 1.00 42.14 O ATOM 1717 CB ASN A 116 23.142 45.537 -59.004 1.00 13.45 C ATOM 1718 CG ASN A 116 22.886 44.051 -59.223 1.00 41.32 C ATOM 1719 OD1 ASN A 116 21.802 43.545 -58.932 1.00 22.52 O ATOM 1720 ND2 ASN A 116 23.874 43.348 -59.755 1.00 63.44 N ATOM 0 H ASN A 116 22.434 48.425 -59.913 1.00 43.54 H new ATOM 0 HA ASN A 116 23.425 45.998 -61.073 1.00 10.42 H new ATOM 0 HB2 ASN A 116 24.183 45.681 -58.716 1.00 13.45 H new ATOM 0 HB3 ASN A 116 22.530 45.885 -58.172 1.00 13.45 H new ATOM 0 HD21 ASN A 116 23.751 42.352 -59.937 1.00 63.44 H new ATOM 0 HD22 ASN A 116 24.758 43.803 -59.983 1.00 63.44 H new ATOM 1727 N ASN A 117 20.927 45.170 -61.116 1.00 33.24 N ATOM 1728 CA ASN A 117 19.547 44.946 -61.557 1.00 2.33 C ATOM 1729 C ASN A 117 19.274 45.684 -62.861 1.00 51.41 C ATOM 1730 O ASN A 117 18.969 46.876 -62.870 1.00 1.42 O ATOM 1731 CB ASN A 117 18.523 45.349 -60.480 1.00 61.13 C ATOM 1732 CG ASN A 117 17.094 45.040 -60.893 1.00 30.42 C ATOM 1733 OD1 ASN A 117 16.837 44.090 -61.631 1.00 34.24 O ATOM 1734 ND2 ASN A 117 16.152 45.835 -60.412 1.00 5.04 N ATOM 0 H ASN A 117 21.530 44.356 -61.234 1.00 33.24 H new ATOM 0 HA ASN A 117 19.431 43.876 -61.729 1.00 2.33 H new ATOM 0 HB2 ASN A 117 18.751 44.825 -59.552 1.00 61.13 H new ATOM 0 HB3 ASN A 117 18.616 46.416 -60.275 1.00 61.13 H new ATOM 0 HD21 ASN A 117 15.174 45.670 -60.651 1.00 5.04 H new ATOM 0 HD22 ASN A 117 16.404 46.613 -59.803 1.00 5.04 H new ATOM 1741 N SER A 118 19.400 44.964 -63.964 1.00 14.15 N ATOM 1742 CA SER A 118 19.200 45.534 -65.283 1.00 75.22 C ATOM 1743 C SER A 118 18.620 44.470 -66.205 1.00 42.11 C ATOM 1744 O SER A 118 18.957 43.291 -66.077 1.00 3.43 O ATOM 1745 CB SER A 118 20.530 46.064 -65.836 1.00 22.31 C ATOM 1746 OG SER A 118 20.356 46.698 -67.093 1.00 43.44 O ATOM 0 H SER A 118 19.643 43.973 -63.969 1.00 14.15 H new ATOM 0 HA SER A 118 18.502 46.369 -65.220 1.00 75.22 H new ATOM 0 HB2 SER A 118 20.964 46.770 -65.128 1.00 22.31 H new ATOM 0 HB3 SER A 118 21.237 45.240 -65.938 1.00 22.31 H new ATOM 0 HG SER A 118 21.221 47.026 -67.417 1.00 43.44 H new ATOM 1752 N THR A 119 17.742 44.894 -67.112 1.00 1.13 N ATOM 1753 CA THR A 119 17.050 43.982 -68.024 1.00 11.34 C ATOM 1754 C THR A 119 16.024 43.133 -67.260 1.00 73.20 C ATOM 1755 O THR A 119 16.133 42.954 -66.045 1.00 53.00 O ATOM 1756 CB THR A 119 18.049 43.069 -68.777 1.00 14.15 C ATOM 1757 OG1 THR A 119 19.138 43.854 -69.287 1.00 61.21 O ATOM 1758 CG2 THR A 119 17.376 42.341 -69.933 1.00 31.13 C ATOM 0 H THR A 119 17.490 45.875 -67.236 1.00 1.13 H new ATOM 0 HA THR A 119 16.526 44.587 -68.764 1.00 11.34 H new ATOM 0 HB THR A 119 18.419 42.327 -68.069 1.00 14.15 H new ATOM 0 HG1 THR A 119 19.768 43.271 -69.761 1.00 61.21 H new ATOM 0 HG21 THR A 119 18.106 41.709 -70.439 1.00 31.13 H new ATOM 0 HG22 THR A 119 16.564 41.722 -69.550 1.00 31.13 H new ATOM 0 HG23 THR A 119 16.976 43.070 -70.638 1.00 31.13 H new ATOM 1766 N ASP A 120 15.009 42.649 -67.958 1.00 14.24 N ATOM 1767 CA ASP A 120 13.997 41.806 -67.338 1.00 62.41 C ATOM 1768 C ASP A 120 14.451 40.356 -67.325 1.00 11.22 C ATOM 1769 O ASP A 120 15.150 39.900 -68.237 1.00 34.13 O ATOM 1770 CB ASP A 120 12.654 41.932 -68.063 1.00 21.11 C ATOM 1771 CG ASP A 120 12.710 41.459 -69.503 1.00 5.01 C ATOM 1772 OD1 ASP A 120 13.253 42.194 -70.353 1.00 42.22 O ATOM 1773 OD2 ASP A 120 12.191 40.363 -69.798 1.00 22.14 O1- ATOM 0 H ASP A 120 14.863 42.824 -68.952 1.00 14.24 H new ATOM 0 HA ASP A 120 13.862 42.144 -66.311 1.00 62.41 H new ATOM 0 HB2 ASP A 120 11.902 41.354 -67.526 1.00 21.11 H new ATOM 0 HB3 ASP A 120 12.332 42.973 -68.041 1.00 21.11 H new ATOM 1778 N PHE A 121 14.059 39.639 -66.287 1.00 13.21 N ATOM 1779 CA PHE A 121 14.435 38.246 -66.134 1.00 25.12 C ATOM 1780 C PHE A 121 13.277 37.337 -66.508 1.00 43.12 C ATOM 1781 O PHE A 121 12.264 37.284 -65.812 1.00 24.43 O ATOM 1782 CB PHE A 121 14.882 37.971 -64.698 1.00 11.52 C ATOM 1783 CG PHE A 121 16.101 38.749 -64.295 1.00 23.13 C ATOM 1784 CD1 PHE A 121 15.984 40.006 -63.722 1.00 75.24 C ATOM 1785 CD2 PHE A 121 17.368 38.225 -64.495 1.00 41.35 C ATOM 1786 CE1 PHE A 121 17.106 40.725 -63.359 1.00 60.15 C ATOM 1787 CE2 PHE A 121 18.492 38.939 -64.132 1.00 43.42 C ATOM 1788 CZ PHE A 121 18.360 40.191 -63.564 1.00 30.42 C ATOM 0 H PHE A 121 13.476 40.002 -65.533 1.00 13.21 H new ATOM 0 HA PHE A 121 15.268 38.038 -66.805 1.00 25.12 H new ATOM 0 HB2 PHE A 121 14.065 38.212 -64.018 1.00 11.52 H new ATOM 0 HB3 PHE A 121 15.086 36.906 -64.586 1.00 11.52 H new ATOM 0 HD1 PHE A 121 15.004 40.428 -63.557 1.00 75.24 H new ATOM 0 HD2 PHE A 121 17.477 37.247 -64.940 1.00 41.35 H new ATOM 0 HE1 PHE A 121 17.001 41.704 -62.915 1.00 60.15 H new ATOM 0 HE2 PHE A 121 19.474 38.519 -64.292 1.00 43.42 H new ATOM 0 HZ PHE A 121 19.239 40.751 -63.281 1.00 30.42 H new ATOM 1798 N HIS A 122 13.424 36.635 -67.620 1.00 74.33 N ATOM 1799 CA HIS A 122 12.401 35.696 -68.061 1.00 33.51 C ATOM 1800 C HIS A 122 12.440 34.445 -67.193 1.00 61.51 C ATOM 1801 O HIS A 122 13.518 33.943 -66.871 1.00 44.21 O ATOM 1802 CB HIS A 122 12.596 35.310 -69.534 1.00 14.54 C ATOM 1803 CG HIS A 122 12.408 36.441 -70.498 1.00 14.41 C ATOM 1804 ND1 HIS A 122 13.375 36.831 -71.397 1.00 72.31 N ATOM 1805 CD2 HIS A 122 11.348 37.254 -70.716 1.00 55.51 C ATOM 1806 CE1 HIS A 122 12.919 37.827 -72.128 1.00 74.34 C ATOM 1807 NE2 HIS A 122 11.690 38.107 -71.737 1.00 72.12 N ATOM 0 H HIS A 122 14.237 36.696 -68.233 1.00 74.33 H new ATOM 0 HA HIS A 122 11.430 36.182 -67.962 1.00 33.51 H new ATOM 0 HB2 HIS A 122 13.599 34.903 -69.661 1.00 14.54 H new ATOM 0 HB3 HIS A 122 11.895 34.514 -69.785 1.00 14.54 H new ATOM 0 HD2 HIS A 122 10.407 37.235 -70.185 1.00 55.51 H new ATOM 0 HE1 HIS A 122 13.460 38.330 -72.916 1.00 74.34 H new ATOM 0 HE2 HIS A 122 11.093 38.836 -72.128 1.00 72.12 H new ATOM 1816 N HIS A 123 11.267 33.961 -66.800 1.00 41.22 N ATOM 1817 CA HIS A 123 11.168 32.758 -65.983 1.00 40.20 C ATOM 1818 C HIS A 123 11.630 31.551 -66.791 1.00 14.21 C ATOM 1819 O HIS A 123 10.909 31.079 -67.669 1.00 55.44 O ATOM 1820 CB HIS A 123 9.729 32.565 -65.491 1.00 64.15 C ATOM 1821 CG HIS A 123 9.563 31.429 -64.526 1.00 33.35 C ATOM 1822 ND1 HIS A 123 9.768 31.555 -63.170 1.00 51.31 N ATOM 1823 CD2 HIS A 123 9.207 30.140 -64.730 1.00 23.32 C ATOM 1824 CE1 HIS A 123 9.543 30.396 -62.582 1.00 62.03 C ATOM 1825 NE2 HIS A 123 9.198 29.519 -63.507 1.00 11.12 N ATOM 0 H HIS A 123 10.369 34.385 -67.035 1.00 41.22 H new ATOM 0 HA HIS A 123 11.812 32.863 -65.110 1.00 40.20 H new ATOM 0 HB2 HIS A 123 9.392 33.486 -65.014 1.00 64.15 H new ATOM 0 HB3 HIS A 123 9.081 32.396 -66.351 1.00 64.15 H new ATOM 0 HD2 HIS A 123 8.973 29.684 -65.681 1.00 23.32 H new ATOM 0 HE1 HIS A 123 9.627 30.198 -61.524 1.00 62.03 H new ATOM 0 HE2 HIS A 123 8.963 28.541 -63.340 1.00 11.12 H new ATOM 1834 N HIS A 124 12.834 31.072 -66.484 1.00 75.21 N ATOM 1835 CA HIS A 124 13.491 30.028 -67.274 1.00 61.31 C ATOM 1836 C HIS A 124 12.599 28.787 -67.456 1.00 45.43 C ATOM 1837 O HIS A 124 12.020 28.615 -68.529 1.00 72.22 O ATOM 1838 CB HIS A 124 14.873 29.670 -66.684 1.00 55.11 C ATOM 1839 CG HIS A 124 14.875 29.204 -65.251 1.00 30.43 C ATOM 1840 ND1 HIS A 124 14.367 29.764 -64.128 1.00 72.32 N flip ATOM 1841 CD2 HIS A 124 15.466 28.027 -64.851 1.00 11.23 C flip ATOM 1842 CE1 HIS A 124 14.657 28.923 -63.085 1.00 60.11 C flip ATOM 1843 NE2 HIS A 124 15.319 27.882 -63.546 1.00 42.31 N flip ATOM 0 H HIS A 124 13.381 31.393 -65.685 1.00 75.21 H new ATOM 0 HA HIS A 124 13.657 30.433 -68.272 1.00 61.31 H new ATOM 0 HB2 HIS A 124 15.319 28.889 -67.300 1.00 55.11 H new ATOM 0 HB3 HIS A 124 15.518 30.545 -66.762 1.00 55.11 H new ATOM 0 HD2 HIS A 124 15.972 27.330 -65.503 1.00 11.23 H new ATOM 0 HE1 HIS A 124 14.386 29.087 -62.052 1.00 60.11 H new ATOM 0 HE2 HIS A 124 15.660 27.098 -62.990 1.00 42.31 H new ATOM 1852 N HIS A 125 12.466 27.958 -66.412 1.00 33.11 N ATOM 1853 CA HIS A 125 11.628 26.750 -66.455 1.00 42.42 C ATOM 1854 C HIS A 125 12.174 25.700 -67.431 1.00 12.25 C ATOM 1855 O HIS A 125 12.561 26.009 -68.553 1.00 65.23 O ATOM 1856 CB HIS A 125 10.180 27.114 -66.820 1.00 11.44 C ATOM 1857 CG HIS A 125 9.235 25.946 -66.861 1.00 60.43 C ATOM 1858 ND1 HIS A 125 8.795 25.371 -68.033 1.00 71.41 N ATOM 1859 CD2 HIS A 125 8.641 25.252 -65.862 1.00 3.32 C ATOM 1860 CE1 HIS A 125 7.969 24.381 -67.752 1.00 54.41 C ATOM 1861 NE2 HIS A 125 7.859 24.283 -66.441 1.00 54.24 N ATOM 0 H HIS A 125 12.934 28.104 -65.517 1.00 33.11 H new ATOM 0 HA HIS A 125 11.647 26.309 -65.458 1.00 42.42 H new ATOM 0 HB2 HIS A 125 9.808 27.841 -66.098 1.00 11.44 H new ATOM 0 HB3 HIS A 125 10.176 27.603 -67.794 1.00 11.44 H new ATOM 0 HD2 HIS A 125 8.760 25.428 -64.803 1.00 3.32 H new ATOM 0 HE1 HIS A 125 7.467 23.755 -68.475 1.00 54.41 H new ATOM 0 HE2 HIS A 125 7.288 23.601 -65.941 1.00 54.24 H new ATOM 1870 N HIS A 126 12.211 24.452 -66.984 1.00 22.41 N ATOM 1871 CA HIS A 126 12.561 23.338 -67.862 1.00 73.13 C ATOM 1872 C HIS A 126 11.372 22.401 -68.008 1.00 14.44 C ATOM 1873 O HIS A 126 10.962 22.062 -69.116 1.00 61.23 O ATOM 1874 CB HIS A 126 13.774 22.563 -67.335 1.00 23.41 C ATOM 1875 CG HIS A 126 15.088 23.233 -67.593 1.00 43.53 C ATOM 1876 ND1 HIS A 126 15.771 23.111 -68.782 1.00 63.22 N ATOM 1877 CD2 HIS A 126 15.856 24.018 -66.803 1.00 54.42 C ATOM 1878 CE1 HIS A 126 16.899 23.788 -68.714 1.00 42.22 C ATOM 1879 NE2 HIS A 126 16.976 24.347 -67.524 1.00 15.42 N ATOM 0 H HIS A 126 12.004 24.184 -66.022 1.00 22.41 H new ATOM 0 HA HIS A 126 12.825 23.750 -68.836 1.00 73.13 H new ATOM 0 HB2 HIS A 126 13.659 22.415 -66.261 1.00 23.41 H new ATOM 0 HB3 HIS A 126 13.787 21.574 -67.793 1.00 23.41 H new ATOM 0 HD2 HIS A 126 15.630 24.328 -65.793 1.00 54.42 H new ATOM 0 HE1 HIS A 126 17.635 23.871 -69.500 1.00 42.22 H new ATOM 0 HE2 HIS A 126 17.744 24.930 -67.192 1.00 15.42 H new ATOM 1888 N HIS A 127 10.815 21.994 -66.875 1.00 12.35 N ATOM 1889 CA HIS A 127 9.632 21.149 -66.853 1.00 31.34 C ATOM 1890 C HIS A 127 8.952 21.268 -65.498 1.00 12.31 C ATOM 1891 O HIS A 127 9.540 20.813 -64.497 1.00 54.42 O ATOM 1892 CB HIS A 127 9.984 19.683 -67.132 1.00 12.42 C ATOM 1893 CG HIS A 127 8.779 18.818 -67.355 1.00 22.42 C ATOM 1894 ND1 HIS A 127 8.095 18.191 -66.336 1.00 5.05 N ATOM 1895 CD2 HIS A 127 8.132 18.484 -68.496 1.00 4.12 C ATOM 1896 CE1 HIS A 127 7.082 17.513 -66.840 1.00 42.13 C ATOM 1897 NE2 HIS A 127 7.083 17.674 -68.149 1.00 54.43 N ATOM 1898 OXT HIS A 127 7.845 21.830 -65.437 1.00 0.00 O1- ATOM 0 H HIS A 127 11.169 22.240 -65.951 1.00 12.35 H new ATOM 0 HA HIS A 127 8.956 21.485 -67.640 1.00 31.34 H new ATOM 0 HB2 HIS A 127 10.628 19.631 -68.010 1.00 12.42 H new ATOM 0 HB3 HIS A 127 10.557 19.288 -66.293 1.00 12.42 H new ATOM 0 HD2 HIS A 127 8.394 18.798 -69.495 1.00 4.12 H new ATOM 0 HE1 HIS A 127 6.372 16.926 -66.276 1.00 42.13 H new ATOM 0 HE2 HIS A 127 6.412 17.262 -68.798 1.00 54.43 H new TER 1907 HIS A 127